From: Robert H. <ha...@st...> - 2010-02-26 17:40:42
|
Welcome, Piero Canepa, our newest Jmol developer! Piero is at the University of Kent (physics, right?) working on a Crystal0X file reader (http://www.crystal.unito.it/). The interesting thing about this reader is that it has 2D and 1D periodicity as well as standard 3D periodicity. Piero and I have been working on this for a few weeks, and it is looking very good now. Still a few capabilities to include, still testing. Not "ready for release" to users quite yet, perhaps. Piero, as you add capabilities, just add some comments at the top of the file. I'll get automatic messages that indicate you have changed files, but it's still nice if you send messages to that effect anyway at mol...@li... . Please start using "Jmol Developers" <jmo...@li...> for communication with me on this so that other developers can chime in as need be. A few conventions: ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats the entire file and makes it hard to see what changes are there. What I do is to highlight sections of code and then use CTRL-S-N. ** Please use standard Java conventions for variable names. That means starting with lower case and no underscores: float[] irFrequencies .... not float[] IRFrequencies .... and not float[] ir_frequencies ... for example. It doesn't matter so much, but just letting you know that I will go in and fix those if you don't, and then you will have to resynchronize! ** Always check for updates before you check code back in. I'll try to stay out of your way, but if I see a bug, I may go ahead and fix it myself. I'll try to just tell you it is there. ** Anything else you see there that needs fixing, do tell us! ** We make releases periodically. If new features are added, those are indicated in viewer.jmol.properties. Mostly don't add information there if it is just a simple change in code in a reader, at least for now; but later if we make bug fixes, they are all indicated there. Looking forward to working with you, Bob On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...> wrote: > ok > It would be nice I have an acount for sourceforge! My username is > pierocanepa > > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...] > Sent: Friday, February 26, 2010 4:53 PM > To: P.Canepa > Subject: Re: Still Crystal > > Piero, > > Time to make you a Jmol developer. Would you like to do that? For that you > need a SourceForge account. It would be with the understanding that you > would restrict your changes to this reader (at least for now). OK? > > Bob > > > > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: P.Canepa <pc...@ke...> - 2010-02-26 18:25:15
|
Dear all, thanks for all! Bob, I try to upload my CrystalReader class corrected with eclipse once I selected the interested the class I want to upload I pressed CTRL-S-N as you said, and and pops up a windows what should I do ! I am sorry I have never used eclipse this way. Thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...] Sent: Friday, February 26, 2010 5:40 PM To: P.Canepa; Jmol Developers Subject: Re: Still Crystal Welcome, Piero Canepa, our newest Jmol developer! Piero is at the University of Kent (physics, right?) working on a Crystal0X file reader (http://www.crystal.unito.it/). The interesting thing about this reader is that it has 2D and 1D periodicity as well as standard 3D periodicity. Piero and I have been working on this for a few weeks, and it is looking very good now. Still a few capabilities to include, still testing. Not "ready for release" to users quite yet, perhaps. Piero, as you add capabilities, just add some comments at the top of the file. I'll get automatic messages that indicate you have changed files, but it's still nice if you send messages to that effect anyway at mol...@li...<mailto:mol...@li...> . Please start using "Jmol Developers" <jmo...@li...<mailto:jmo...@li...>> for communication with me on this so that other developers can chime in as need be. A few conventions: ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats the entire file and makes it hard to see what changes are there. What I do is to highlight sections of code and then use CTRL-S-N. ** Please use standard Java conventions for variable names. That means starting with lower case and no underscores: float[] irFrequencies .... not float[] IRFrequencies .... and not float[] ir_frequencies ... for example. It doesn't matter so much, but just letting you know that I will go in and fix those if you don't, and then you will have to resynchronize! ** Always check for updates before you check code back in. I'll try to stay out of your way, but if I see a bug, I may go ahead and fix it myself. I'll try to just tell you it is there. ** Anything else you see there that needs fixing, do tell us! ** We make releases periodically. If new features are added, those are indicated in viewer.jmol.properties. Mostly don't add information there if it is just a simple change in code in a reader, at least for now; but later if we make bug fixes, they are all indicated there. Looking forward to working with you, Bob On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...>> wrote: ok It would be nice I have an acount for sourceforge! My username is pierocanepa -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...>] Sent: Friday, February 26, 2010 4:53 PM To: P.Canepa Subject: Re: Still Crystal Piero, Time to make you a Jmol developer. Would you like to do that? For that you need a SourceForge account. It would be with the understanding that you would restrict your changes to this reader (at least for now). OK? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: Robert H. <ha...@st...> - 2010-02-26 18:52:30
|
Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something some people have done and it makes life more difficult. Who can help Piero get going with Eclipse? On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...> wrote: > Dear all, > thanks for all! > Bob, > I try to upload my CrystalReader class corrected with eclipse once I > selected the interested the class I want to upload I pressed CTRL-S-N as you > said, and and pops up a windows what should I do ! I am sorry I have never > used eclipse this way. > > Thanks, Piero > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...] > Sent: Friday, February 26, 2010 5:40 PM > To: P.Canepa; Jmol Developers > Subject: Re: Still Crystal > > Welcome, Piero Canepa, our newest Jmol developer! > > Piero is at the University of Kent (physics, right?) working on a Crystal0X > file reader (http://www.crystal.unito.it/). The interesting thing about > this reader is that it has 2D and 1D periodicity as well as standard 3D > periodicity. Piero and I have been working on this for a few weeks, and it > is looking very good now. Still a few capabilities to include, still > testing. Not "ready for release" to users quite yet, perhaps. > > Piero, as you add capabilities, just add some comments at the top of the > file. I'll get automatic messages that indicate you have changed files, but > it's still nice if you send messages to that effect anyway at > mol...@li...<mailto: > mol...@li...> . Please start using "Jmol > Developers" <jmo...@li...<mailto: > jmo...@li...>> for communication with me on this > so that other developers can chime in as need be. A few conventions: > > ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats > the entire file and makes it hard to see what changes are there. What I do > is to highlight sections of code and then use CTRL-S-N. > > ** Please use standard Java conventions for variable names. That means > starting with lower case and no underscores: > > > float[] irFrequencies .... > > not > > float[] IRFrequencies .... > > and not > > float[] ir_frequencies ... > > for example. It doesn't matter so much, but just letting you know that I > will go in and fix those if you don't, and then you will have to > resynchronize! > > ** Always check for updates before you check code back in. I'll try to stay > out of your way, but if I see a bug, I may go ahead and fix it myself. I'll > try to just tell you it is there. > > ** Anything else you see there that needs fixing, do tell us! > > ** We make releases periodically. If new features are added, those are > indicated in viewer.jmol.properties. Mostly don't add information there if > it is just a simple change in code in a reader, at least for now; but later > if we make bug fixes, they are all indicated there. > > Looking forward to working with you, > > Bob > > > On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto: > pc...@ke...>> wrote: > ok > It would be nice I have an acount for sourceforge! My username is > pierocanepa > > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...>] > Sent: Friday, February 26, 2010 4:53 PM > To: P.Canepa > Subject: Re: Still Crystal > > Piero, > > Time to make you a Jmol developer. Would you like to do that? For that you > need a SourceForge account. It would be with the understanding that you > would restrict your changes to this reader (at least for now). OK? > > Bob > > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: P.Canepa <pc...@ke...> - 2010-02-26 22:22:39
|
Then selected what I want to update just ALT-S and it should be updated trough SVN? Thanks -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...] Sent: Friday, February 26, 2010 6:52 PM To: jmo...@li... Subject: Re: [Jmol-developers] Still Crystal Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something some people have done and it makes life more difficult. Who can help Piero get going with Eclipse? On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...>> wrote: Dear all, thanks for all! Bob, I try to upload my CrystalReader class corrected with eclipse once I selected the interested the class I want to upload I pressed CTRL-S-N as you said, and and pops up a windows what should I do ! I am sorry I have never used eclipse this way. Thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...>] Sent: Friday, February 26, 2010 5:40 PM To: P.Canepa; Jmol Developers Subject: Re: Still Crystal Welcome, Piero Canepa, our newest Jmol developer! Piero is at the University of Kent (physics, right?) working on a Crystal0X file reader (http://www.crystal.unito.it/). The interesting thing about this reader is that it has 2D and 1D periodicity as well as standard 3D periodicity. Piero and I have been working on this for a few weeks, and it is looking very good now. Still a few capabilities to include, still testing. Not "ready for release" to users quite yet, perhaps. Piero, as you add capabilities, just add some comments at the top of the file. I'll get automatic messages that indicate you have changed files, but it's still nice if you send messages to that effect anyway at mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>> . Please start using "Jmol Developers" <jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>> for communication with me on this so that other developers can chime in as need be. A few conventions: ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats the entire file and makes it hard to see what changes are there. What I do is to highlight sections of code and then use CTRL-S-N. ** Please use standard Java conventions for variable names. That means starting with lower case and no underscores: float[] irFrequencies .... not float[] IRFrequencies .... and not float[] ir_frequencies ... for example. It doesn't matter so much, but just letting you know that I will go in and fix those if you don't, and then you will have to resynchronize! ** Always check for updates before you check code back in. I'll try to stay out of your way, but if I see a bug, I may go ahead and fix it myself. I'll try to just tell you it is there. ** Anything else you see there that needs fixing, do tell us! ** We make releases periodically. If new features are added, those are indicated in viewer.jmol.properties. Mostly don't add information there if it is just a simple change in code in a reader, at least for now; but later if we make bug fixes, they are all indicated there. Looking forward to working with you, Bob On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> wrote: ok It would be nice I have an acount for sourceforge! My username is pierocanepa -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>] Sent: Friday, February 26, 2010 4:53 PM To: P.Canepa Subject: Re: Still Crystal Piero, Time to make you a Jmol developer. Would you like to do that? For that you need a SourceForge account. It would be with the understanding that you would restrict your changes to this reader (at least for now). OK? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: P.Canepa <pc...@ke...> - 2010-02-26 23:03:18
|
I tried with your suggestion not really sure it works! Have you got the file with the frequency of the hydroxyapatite I sent you this morning? I put this kind of check within readfrequencies() if(line.startsWith(" 1) EACH")){ discardLinesUntilContains("NORMAL MODES NORMALIZED TO CLASSICAL AMPLITUDES"); readLine(); readLine(); } but I can get it to work! Can you help me ? -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: P.Canepa [pc...@ke...] Sent: Friday, February 26, 2010 10:21 PM To: jmo...@li... Subject: Re: [Jmol-developers] Still Crystal Then selected what I want to update just ALT-S and it should be updated trough SVN? Thanks -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...] Sent: Friday, February 26, 2010 6:52 PM To: jmo...@li... Subject: Re: [Jmol-developers] Still Crystal Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something some people have done and it makes life more difficult. Who can help Piero get going with Eclipse? On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...>> wrote: Dear all, thanks for all! Bob, I try to upload my CrystalReader class corrected with eclipse once I selected the interested the class I want to upload I pressed CTRL-S-N as you said, and and pops up a windows what should I do ! I am sorry I have never used eclipse this way. Thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...>] Sent: Friday, February 26, 2010 5:40 PM To: P.Canepa; Jmol Developers Subject: Re: Still Crystal Welcome, Piero Canepa, our newest Jmol developer! Piero is at the University of Kent (physics, right?) working on a Crystal0X file reader (http://www.crystal.unito.it/). The interesting thing about this reader is that it has 2D and 1D periodicity as well as standard 3D periodicity. Piero and I have been working on this for a few weeks, and it is looking very good now. Still a few capabilities to include, still testing. Not "ready for release" to users quite yet, perhaps. Piero, as you add capabilities, just add some comments at the top of the file. I'll get automatic messages that indicate you have changed files, but it's still nice if you send messages to that effect anyway at mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>> . Please start using "Jmol Developers" <jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>> for communication with me on this so that other developers can chime in as need be. A few conventions: ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats the entire file and makes it hard to see what changes are there. What I do is to highlight sections of code and then use CTRL-S-N. ** Please use standard Java conventions for variable names. That means starting with lower case and no underscores: float[] irFrequencies .... not float[] IRFrequencies .... and not float[] ir_frequencies ... for example. It doesn't matter so much, but just letting you know that I will go in and fix those if you don't, and then you will have to resynchronize! ** Always check for updates before you check code back in. I'll try to stay out of your way, but if I see a bug, I may go ahead and fix it myself. I'll try to just tell you it is there. ** Anything else you see there that needs fixing, do tell us! ** We make releases periodically. If new features are added, those are indicated in viewer.jmol.properties. Mostly don't add information there if it is just a simple change in code in a reader, at least for now; but later if we make bug fixes, they are all indicated there. Looking forward to working with you, Bob On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> wrote: ok It would be nice I have an acount for sourceforge! My username is pierocanepa -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>] Sent: Friday, February 26, 2010 4:53 PM To: P.Canepa Subject: Re: Still Crystal Piero, Time to make you a Jmol developer. Would you like to do that? For that you need a SourceForge account. It would be with the understanding that you would restrict your changes to this reader (at least for now). OK? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li... https://lists.sourceforge.net/lists/listinfo/jmol-developers |
From: Robert H. <ha...@st...> - 2010-02-27 15:05:44
|
no, that's just for formatting the the code within the editor. Sorry I mentioned it. Within the debugger (where I usually work) I right-click on src in the navigator window. A context menu pops up, and you select team --> synchronize then go from there. I check the files for conflicts, then do an update first, then a commit. Bob On Fri, Feb 26, 2010 at 4:21 PM, P.Canepa <pc...@ke...> wrote: > Then selected what I want to update just ALT-S and it should be updated > trough SVN? > > Thanks > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...] > Sent: Friday, February 26, 2010 6:52 PM > To: jmo...@li... > Subject: Re: [Jmol-developers] Still Crystal > > Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something > some people have done and it makes life more difficult. > > Who can help Piero get going with Eclipse? > > > On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto: > pc...@ke...>> wrote: > Dear all, > thanks for all! > Bob, > I try to upload my CrystalReader class corrected with eclipse once I > selected the interested the class I want to upload I pressed CTRL-S-N as you > said, and and pops up a windows what should I do ! I am sorry I have never > used eclipse this way. > > Thanks, Piero > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...>] > Sent: Friday, February 26, 2010 5:40 PM > To: P.Canepa; Jmol Developers > Subject: Re: Still Crystal > > Welcome, Piero Canepa, our newest Jmol developer! > > Piero is at the University of Kent (physics, right?) working on a Crystal0X > file reader (http://www.crystal.unito.it/). The interesting thing about > this reader is that it has 2D and 1D periodicity as well as standard 3D > periodicity. Piero and I have been working on this for a few weeks, and it > is looking very good now. Still a few capabilities to include, still > testing. Not "ready for release" to users quite yet, perhaps. > > Piero, as you add capabilities, just add some comments at the top of the > file. I'll get automatic messages that indicate you have changed files, but > it's still nice if you send messages to that effect anyway at > mol...@li...<mailto: > mol...@li...><mailto: > mol...@li...<mailto: > mol...@li...>> . Please start using "Jmol > Developers" <jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>>> for communication with me on this > so that other developers can chime in as need be. A few conventions: > > ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats > the entire file and makes it hard to see what changes are there. What I do > is to highlight sections of code and then use CTRL-S-N. > > ** Please use standard Java conventions for variable names. That means > starting with lower case and no underscores: > > > float[] irFrequencies .... > > not > > float[] IRFrequencies .... > > and not > > float[] ir_frequencies ... > > for example. It doesn't matter so much, but just letting you know that I > will go in and fix those if you don't, and then you will have to > resynchronize! > > ** Always check for updates before you check code back in. I'll try to stay > out of your way, but if I see a bug, I may go ahead and fix it myself. I'll > try to just tell you it is there. > > ** Anything else you see there that needs fixing, do tell us! > > ** We make releases periodically. If new features are added, those are > indicated in viewer.jmol.properties. Mostly don't add information there if > it is just a simple change in code in a reader, at least for now; but later > if we make bug fixes, they are all indicated there. > > Looking forward to working with you, > > Bob > > > On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto: > pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> > wrote: > ok > It would be nice I have an acount for sourceforge! My username is > pierocanepa > > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke... > <mailto:pc...@ke...>> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto: > ha...@st...<mailto:ha...@st...>>] > Sent: Friday, February 26, 2010 4:53 PM > To: P.Canepa > Subject: Re: Still Crystal > > Piero, > > Time to make you a Jmol developer. Would you like to do that? For that you > need a SourceForge account. It would be with the understanding that you > would restrict your changes to this reader (at least for now). OK? > > Bob > > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li...<mailto: > Jmo...@li...> > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: P.Canepa <pc...@ke...> - 2010-02-27 18:18:25
|
Thanks, I updated your suggestion and it seems to work ! I adjust a bit the part of frequency to make it more general but still there are things to fix There is anyway in Jmol to format a string which contains numbers? Is it in org.jmol.util.TextFormat; ? I would like to reduce the decimal places in frequency as just two decimal places are needed ,Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...] Sent: Saturday, February 27, 2010 3:05 PM To: jmo...@li... Subject: Re: [Jmol-developers] Still Crystal no, that's just for formatting the the code within the editor. Sorry I mentioned it. Within the debugger (where I usually work) I right-click on src in the navigator window. A context menu pops up, and you select team --> synchronize then go from there. I check the files for conflicts, then do an update first, then a commit. Bob On Fri, Feb 26, 2010 at 4:21 PM, P.Canepa <pc...@ke...<mailto:pc...@ke...>> wrote: Then selected what I want to update just ALT-S and it should be updated trough SVN? Thanks -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...>] Sent: Friday, February 26, 2010 6:52 PM To: jmo...@li...<mailto:jmo...@li...> Subject: Re: [Jmol-developers] Still Crystal Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something some people have done and it makes life more difficult. Who can help Piero get going with Eclipse? On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> wrote: Dear all, thanks for all! Bob, I try to upload my CrystalReader class corrected with eclipse once I selected the interested the class I want to upload I pressed CTRL-S-N as you said, and and pops up a windows what should I do ! I am sorry I have never used eclipse this way. Thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>] Sent: Friday, February 26, 2010 5:40 PM To: P.Canepa; Jmol Developers Subject: Re: Still Crystal Welcome, Piero Canepa, our newest Jmol developer! Piero is at the University of Kent (physics, right?) working on a Crystal0X file reader (http://www.crystal.unito.it/). The interesting thing about this reader is that it has 2D and 1D periodicity as well as standard 3D periodicity. Piero and I have been working on this for a few weeks, and it is looking very good now. Still a few capabilities to include, still testing. Not "ready for release" to users quite yet, perhaps. Piero, as you add capabilities, just add some comments at the top of the file. I'll get automatic messages that indicate you have changed files, but it's still nice if you send messages to that effect anyway at mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>>> . Please start using "Jmol Developers" <jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>>> for communication with me on this so that other developers can chime in as need be. A few conventions: ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats the entire file and makes it hard to see what changes are there. What I do is to highlight sections of code and then use CTRL-S-N. ** Please use standard Java conventions for variable names. That means starting with lower case and no underscores: float[] irFrequencies .... not float[] IRFrequencies .... and not float[] ir_frequencies ... for example. It doesn't matter so much, but just letting you know that I will go in and fix those if you don't, and then you will have to resynchronize! ** Always check for updates before you check code back in. I'll try to stay out of your way, but if I see a bug, I may go ahead and fix it myself. I'll try to just tell you it is there. ** Anything else you see there that needs fixing, do tell us! ** We make releases periodically. If new features are added, those are indicated in viewer.jmol.properties. Mostly don't add information there if it is just a simple change in code in a reader, at least for now; but later if we make bug fixes, they are all indicated there. Looking forward to working with you, Bob On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>> wrote: ok It would be nice I have an acount for sourceforge! My username is pierocanepa -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>>] Sent: Friday, February 26, 2010 4:53 PM To: P.Canepa Subject: Re: Still Crystal Piero, Time to make you a Jmol developer. Would you like to do that? For that you need a SourceForge account. It would be with the understanding that you would restrict your changes to this reader (at least for now). OK? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: Robert H. <ha...@st...> - 2010-02-27 18:33:32
|
Yes, it is in TextFormat. OK, so I see a new CrystalReader there. Good work! Open TextFormat.java and find the sprintf method. Then click on the word "sprintf" and then use CTRL-SHIFT-G. This will show you all the places in Jmol where that method is called. Just double-click on one of the references in the search results and take a look how it is used. Pretty standard. For example: return TextFormat.sprintf("\n TOTAL %s ENERGY = %8.3f %s\n", new Object[] { s, getUnit(), new Float(energy) }); Notice that the order is only important within the given types, so here we have two %s and one %f. The two strings have to be in order, but the Float can be anywhere in the Object[] list. Bob On Sat, Feb 27, 2010 at 12:18 PM, P.Canepa <pc...@ke...> wrote: > Thanks, > > I updated your suggestion and it seems to work ! I adjust a bit the part of > frequency to make it more general but still there are things to fix > There is anyway in Jmol to format a string which contains numbers? Is it in > org.jmol.util.TextFormat; ? > I would like to reduce the decimal places in frequency as just two decimal > places are needed > > ,Piero > > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...] > Sent: Saturday, February 27, 2010 3:05 PM > To: jmo...@li... > Subject: Re: [Jmol-developers] Still Crystal > > no, that's just for formatting the the code within the editor. Sorry I > mentioned it. Within the debugger (where I usually work) I right-click on > > src > > in the navigator window. A context menu pops up, and you select > > team --> synchronize > > then go from there. I check the files for conflicts, then do an update > first, then a commit. > > Bob > > On Fri, Feb 26, 2010 at 4:21 PM, P.Canepa <pc...@ke...<mailto: > pc...@ke...>> wrote: > Then selected what I want to update just ALT-S and it should be updated > trough SVN? > > Thanks > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...>] > Sent: Friday, February 26, 2010 6:52 PM > To: jmo...@li...<mailto: > jmo...@li...> > Subject: Re: [Jmol-developers] Still Crystal > > Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something > some people have done and it makes life more difficult. > > Who can help Piero get going with Eclipse? > > > On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto: > pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> > wrote: > Dear all, > thanks for all! > Bob, > I try to upload my CrystalReader class corrected with eclipse once I > selected the interested the class I want to upload I pressed CTRL-S-N as you > said, and and pops up a windows what should I do ! I am sorry I have never > used eclipse this way. > > Thanks, Piero > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke... > <mailto:pc...@ke...>> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto: > ha...@st...<mailto:ha...@st...>>] > Sent: Friday, February 26, 2010 5:40 PM > To: P.Canepa; Jmol Developers > Subject: Re: Still Crystal > > Welcome, Piero Canepa, our newest Jmol developer! > > Piero is at the University of Kent (physics, right?) working on a Crystal0X > file reader (http://www.crystal.unito.it/). The interesting thing about > this reader is that it has 2D and 1D periodicity as well as standard 3D > periodicity. Piero and I have been working on this for a few weeks, and it > is looking very good now. Still a few capabilities to include, still > testing. Not "ready for release" to users quite yet, perhaps. > > Piero, as you add capabilities, just add some comments at the top of the > file. I'll get automatic messages that indicate you have changed files, but > it's still nice if you send messages to that effect anyway at > mol...@li...<mailto: > mol...@li...><mailto: > mol...@li...<mailto: > mol...@li...>><mailto: > mol...@li...<mailto: > mol...@li...><mailto: > mol...@li...<mailto: > mol...@li...>>> . Please start using "Jmol > Developers" <jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>><mailto: > jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>>>> for communication with me on > this so that other developers can chime in as need be. A few conventions: > > ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats > the entire file and makes it hard to see what changes are there. What I do > is to highlight sections of code and then use CTRL-S-N. > > ** Please use standard Java conventions for variable names. That means > starting with lower case and no underscores: > > > float[] irFrequencies .... > > not > > float[] IRFrequencies .... > > and not > > float[] ir_frequencies ... > > for example. It doesn't matter so much, but just letting you know that I > will go in and fix those if you don't, and then you will have to > resynchronize! > > ** Always check for updates before you check code back in. I'll try to stay > out of your way, but if I see a bug, I may go ahead and fix it myself. I'll > try to just tell you it is there. > > ** Anything else you see there that needs fixing, do tell us! > > ** We make releases periodically. If new features are added, those are > indicated in viewer.jmol.properties. Mostly don't add information there if > it is just a simple change in code in a reader, at least for now; but later > if we make bug fixes, they are all indicated there. > > Looking forward to working with you, > > Bob > > > On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto: > pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke... > >><mailto:pc...@ke...<mailto:pc...@ke...><mailto: > pc...@ke...<mailto:pc...@ke...>>>> wrote: > ok > It would be nice I have an acount for sourceforge! My username is > pierocanepa > > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke... > <mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke... > ><mailto:pc...@ke...<mailto:pc...@ke...>>> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto: > ha...@st...<mailto:ha...@st...>><mailto:ha...@st... > <mailto:ha...@st...><mailto:ha...@st...<mailto: > ha...@st...>>>] > Sent: Friday, February 26, 2010 4:53 PM > To: P.Canepa > Subject: Re: Still Crystal > > Piero, > > Time to make you a Jmol developer. Would you like to do that? For that you > need a SourceForge account. It would be with the understanding that you > would restrict your changes to this reader (at least for now). OK? > > Bob > > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li...<mailto: > Jmo...@li...><mailto: > Jmo...@li...<mailto: > Jmo...@li...>> > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li...<mailto: > Jmo...@li...> > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: P.Canepa <pc...@ke...> - 2010-02-27 21:32:51
|
Can you please recommit your last commitment please? I made a mistake, I am getting grip with the thing! Sorry Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...] Sent: Saturday, February 27, 2010 6:33 PM To: jmo...@li... Subject: Re: [Jmol-developers] Still Crystal Yes, it is in TextFormat. OK, so I see a new CrystalReader there. Good work! Open TextFormat.java and find the sprintf method. Then click on the word "sprintf" and then use CTRL-SHIFT-G. This will show you all the places in Jmol where that method is called. Just double-click on one of the references in the search results and take a look how it is used. Pretty standard. For example: return TextFormat.sprintf("\n TOTAL %s ENERGY = %8.3f %s\n", new Object[] { s, getUnit(), new Float(energy) }); Notice that the order is only important within the given types, so here we have two %s and one %f. The two strings have to be in order, but the Float can be anywhere in the Object[] list. Bob On Sat, Feb 27, 2010 at 12:18 PM, P.Canepa <pc...@ke...<mailto:pc...@ke...>> wrote: Thanks, I updated your suggestion and it seems to work ! I adjust a bit the part of frequency to make it more general but still there are things to fix There is anyway in Jmol to format a string which contains numbers? Is it in org.jmol.util.TextFormat; ? I would like to reduce the decimal places in frequency as just two decimal places are needed ,Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...>] Sent: Saturday, February 27, 2010 3:05 PM To: jmo...@li...<mailto:jmo...@li...> Subject: Re: [Jmol-developers] Still Crystal no, that's just for formatting the the code within the editor. Sorry I mentioned it. Within the debugger (where I usually work) I right-click on src in the navigator window. A context menu pops up, and you select team --> synchronize then go from there. I check the files for conflicts, then do an update first, then a commit. Bob On Fri, Feb 26, 2010 at 4:21 PM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> wrote: Then selected what I want to update just ALT-S and it should be updated trough SVN? Thanks -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>] Sent: Friday, February 26, 2010 6:52 PM To: jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>> Subject: Re: [Jmol-developers] Still Crystal Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something some people have done and it makes life more difficult. Who can help Piero get going with Eclipse? On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>> wrote: Dear all, thanks for all! Bob, I try to upload my CrystalReader class corrected with eclipse once I selected the interested the class I want to upload I pressed CTRL-S-N as you said, and and pops up a windows what should I do ! I am sorry I have never used eclipse this way. Thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>>] Sent: Friday, February 26, 2010 5:40 PM To: P.Canepa; Jmol Developers Subject: Re: Still Crystal Welcome, Piero Canepa, our newest Jmol developer! Piero is at the University of Kent (physics, right?) working on a Crystal0X file reader (http://www.crystal.unito.it/). The interesting thing about this reader is that it has 2D and 1D periodicity as well as standard 3D periodicity. Piero and I have been working on this for a few weeks, and it is looking very good now. Still a few capabilities to include, still testing. Not "ready for release" to users quite yet, perhaps. Piero, as you add capabilities, just add some comments at the top of the file. I'll get automatic messages that indicate you have changed files, but it's still nice if you send messages to that effect anyway at mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>>>> . Please start using "Jmol Developers" <jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>>>> for communication with me on this so that other developers can chime in as need be. A few conventions: ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats the entire file and makes it hard to see what changes are there. What I do is to highlight sections of code and then use CTRL-S-N. ** Please use standard Java conventions for variable names. That means starting with lower case and no underscores: float[] irFrequencies .... not float[] IRFrequencies .... and not float[] ir_frequencies ... for example. It doesn't matter so much, but just letting you know that I will go in and fix those if you don't, and then you will have to resynchronize! ** Always check for updates before you check code back in. I'll try to stay out of your way, but if I see a bug, I may go ahead and fix it myself. I'll try to just tell you it is there. ** Anything else you see there that needs fixing, do tell us! ** We make releases periodically. If new features are added, those are indicated in viewer.jmol.properties. Mostly don't add information there if it is just a simple change in code in a reader, at least for now; but later if we make bug fixes, they are all indicated there. Looking forward to working with you, Bob On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>>> wrote: ok It would be nice I have an acount for sourceforge! My username is pierocanepa -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>>>] Sent: Friday, February 26, 2010 4:53 PM To: P.Canepa Subject: Re: Still Crystal Piero, Time to make you a Jmol developer. Would you like to do that? For that you need a SourceForge account. It would be with the understanding that you would restrict your changes to this reader (at least for now). OK? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>><mailto:Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>>> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: Robert H. <ha...@st...> - 2010-02-27 22:21:13
|
One cannot "recommit" -- when you commit you commit. What's the problem? Are you having trouble synchronizing? In Eclipse, if you do synchronize and you get the red flags of conflicts, you can still merge those results. Just double-click on the problem file, go down the list one by one accepting the changes or not, and then right-click "mark as merged" (as I remember). Then you can continue with that. Bob On Sat, Feb 27, 2010 at 3:31 PM, P.Canepa <pc...@ke...> wrote: > Can you please recommit your last commitment please? > > I made a mistake, I am getting grip with the thing! Sorry > > Piero > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...] > Sent: Saturday, February 27, 2010 6:33 PM > To: jmo...@li... > Subject: Re: [Jmol-developers] Still Crystal > > Yes, it is in TextFormat. OK, so I see a new CrystalReader there. Good > work! > > Open TextFormat.java and find the sprintf method. Then click on the word > "sprintf" and then use CTRL-SHIFT-G. This will show you all the places in > Jmol where that method is called. Just double-click on one of the references > in the search results and take a look how it is used. Pretty standard. For > example: > > return TextFormat.sprintf("\n TOTAL %s ENERGY = %8.3f %s\n", > new Object[] { s, getUnit(), new Float(energy) }); > > > Notice that the order is only important within the given types, so here we > have two %s and one %f. The two strings have to be in order, but the Float > can be anywhere in the Object[] list. > > Bob > > > On Sat, Feb 27, 2010 at 12:18 PM, P.Canepa <pc...@ke...<mailto: > pc...@ke...>> wrote: > Thanks, > > I updated your suggestion and it seems to work ! I adjust a bit the part of > frequency to make it more general but still there are things to fix > There is anyway in Jmol to format a string which contains numbers? Is it in > org.jmol.util.TextFormat; ? > I would like to reduce the decimal places in frequency as just two decimal > places are needed > > ,Piero > > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...>] > Sent: Saturday, February 27, 2010 3:05 PM > To: jmo...@li...<mailto: > jmo...@li...> > Subject: Re: [Jmol-developers] Still Crystal > > no, that's just for formatting the the code within the editor. Sorry I > mentioned it. Within the debugger (where I usually work) I right-click on > > src > > in the navigator window. A context menu pops up, and you select > > team --> synchronize > > then go from there. I check the files for conflicts, then do an update > first, then a commit. > > Bob > > On Fri, Feb 26, 2010 at 4:21 PM, P.Canepa <pc...@ke...<mailto: > pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> > wrote: > Then selected what I want to update just ALT-S and it should be updated > trough SVN? > > Thanks > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke... > <mailto:pc...@ke...>> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto: > ha...@st...<mailto:ha...@st...>>] > Sent: Friday, February 26, 2010 6:52 PM > To: jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>> > Subject: Re: [Jmol-developers] Still Crystal > > Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something > some people have done and it makes life more difficult. > > Who can help Piero get going with Eclipse? > > > On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto: > pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke... > >><mailto:pc...@ke...<mailto:pc...@ke...><mailto: > pc...@ke...<mailto:pc...@ke...>>>> wrote: > Dear all, > thanks for all! > Bob, > I try to upload my CrystalReader class corrected with eclipse once I > selected the interested the class I want to upload I pressed CTRL-S-N as you > said, and and pops up a windows what should I do ! I am sorry I have never > used eclipse this way. > > Thanks, Piero > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke... > <mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke... > ><mailto:pc...@ke...<mailto:pc...@ke...>>> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto: > ha...@st...<mailto:ha...@st...>><mailto:ha...@st... > <mailto:ha...@st...><mailto:ha...@st...<mailto: > ha...@st...>>>] > Sent: Friday, February 26, 2010 5:40 PM > To: P.Canepa; Jmol Developers > Subject: Re: Still Crystal > > Welcome, Piero Canepa, our newest Jmol developer! > > Piero is at the University of Kent (physics, right?) working on a Crystal0X > file reader (http://www.crystal.unito.it/). The interesting thing about > this reader is that it has 2D and 1D periodicity as well as standard 3D > periodicity. Piero and I have been working on this for a few weeks, and it > is looking very good now. Still a few capabilities to include, still > testing. Not "ready for release" to users quite yet, perhaps. > > Piero, as you add capabilities, just add some comments at the top of the > file. I'll get automatic messages that indicate you have changed files, but > it's still nice if you send messages to that effect anyway at > mol...@li...<mailto: > mol...@li...><mailto: > mol...@li...<mailto: > mol...@li...>><mailto: > mol...@li...<mailto: > mol...@li...><mailto: > mol...@li...<mailto: > mol...@li...>>><mailto: > mol...@li...<mailto: > mol...@li...><mailto: > mol...@li...<mailto: > mol...@li...>><mailto: > mol...@li...<mailto: > mol...@li...><mailto: > mol...@li...<mailto: > mol...@li...>>>> . Please start using "Jmol > Developers" <jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>><mailto: > jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>>><mailto: > jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>><mailto: > jmo...@li...<mailto: > jmo...@li...><mailto: > jmo...@li...<mailto: > jmo...@li...>>>>> for communication with me on > this so that other developers can chime in as need be. A few conventions: > > ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats > the entire file and makes it hard to see what changes are there. What I do > is to highlight sections of code and then use CTRL-S-N. > > ** Please use standard Java conventions for variable names. That means > starting with lower case and no underscores: > > > float[] irFrequencies .... > > not > > float[] IRFrequencies .... > > and not > > float[] ir_frequencies ... > > for example. It doesn't matter so much, but just letting you know that I > will go in and fix those if you don't, and then you will have to > resynchronize! > > ** Always check for updates before you check code back in. I'll try to stay > out of your way, but if I see a bug, I may go ahead and fix it myself. I'll > try to just tell you it is there. > > ** Anything else you see there that needs fixing, do tell us! > > ** We make releases periodically. If new features are added, those are > indicated in viewer.jmol.properties. Mostly don't add information there if > it is just a simple change in code in a reader, at least for now; but later > if we make bug fixes, they are all indicated there. > > Looking forward to working with you, > > Bob > > > On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto: > pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke... > >><mailto:pc...@ke...<mailto:pc...@ke...><mailto: > pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke... > <mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke... > >><mailto:pc...@ke...<mailto:pc...@ke...><mailto: > pc...@ke...<mailto:pc...@ke...>>>>> wrote: > ok > It would be nice I have an acount for sourceforge! My username is > pierocanepa > > -- > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke... > <mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke... > ><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto: > pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto: > pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke... > ><mailto:pc...@ke...<mailto:pc...@ke...>>>> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > ________________________________________ > From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto: > ha...@st...<mailto:ha...@st...>><mailto:ha...@st... > <mailto:ha...@st...><mailto:ha...@st...<mailto: > ha...@st...>>><mailto:ha...@st...<mailto:ha...@st... > ><mailto:ha...@st...<mailto:ha...@st...>><mailto: > ha...@st...<mailto:ha...@st...><mailto:ha...@st... > <mailto:ha...@st...>>>>] > Sent: Friday, February 26, 2010 4:53 PM > To: P.Canepa > Subject: Re: Still Crystal > > Piero, > > Time to make you a Jmol developer. Would you like to do that? For that you > need a SourceForge account. It would be with the understanding that you > would restrict your changes to this reader (at least for now). OK? > > Bob > > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li...<mailto: > Jmo...@li...><mailto: > Jmo...@li...<mailto: > Jmo...@li...>><mailto: > Jmo...@li...<mailto: > Jmo...@li...><mailto: > Jmo...@li...<mailto: > Jmo...@li...>>> > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li...<mailto: > Jmo...@li...><mailto: > Jmo...@li...<mailto: > Jmo...@li...>> > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li...<mailto: > Jmo...@li...> > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |
From: P.Canepa <pc...@ke...> - 2010-02-27 22:28:40
|
Ok Thanks Is alright now, I thought I had made a mistake! -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...] Sent: Saturday, February 27, 2010 10:21 PM To: jmo...@li... Subject: Re: [Jmol-developers] Still Crystal One cannot "recommit" -- when you commit you commit. What's the problem? Are you having trouble synchronizing? In Eclipse, if you do synchronize and you get the red flags of conflicts, you can still merge those results. Just double-click on the problem file, go down the list one by one accepting the changes or not, and then right-click "mark as merged" (as I remember). Then you can continue with that. Bob On Sat, Feb 27, 2010 at 3:31 PM, P.Canepa <pc...@ke...<mailto:pc...@ke...>> wrote: Can you please recommit your last commitment please? I made a mistake, I am getting grip with the thing! Sorry Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...>] Sent: Saturday, February 27, 2010 6:33 PM To: jmo...@li...<mailto:jmo...@li...> Subject: Re: [Jmol-developers] Still Crystal Yes, it is in TextFormat. OK, so I see a new CrystalReader there. Good work! Open TextFormat.java and find the sprintf method. Then click on the word "sprintf" and then use CTRL-SHIFT-G. This will show you all the places in Jmol where that method is called. Just double-click on one of the references in the search results and take a look how it is used. Pretty standard. For example: return TextFormat.sprintf("\n TOTAL %s ENERGY = %8.3f %s\n", new Object[] { s, getUnit(), new Float(energy) }); Notice that the order is only important within the given types, so here we have two %s and one %f. The two strings have to be in order, but the Float can be anywhere in the Object[] list. Bob On Sat, Feb 27, 2010 at 12:18 PM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> wrote: Thanks, I updated your suggestion and it seems to work ! I adjust a bit the part of frequency to make it more general but still there are things to fix There is anyway in Jmol to format a string which contains numbers? Is it in org.jmol.util.TextFormat; ? I would like to reduce the decimal places in frequency as just two decimal places are needed ,Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>] Sent: Saturday, February 27, 2010 3:05 PM To: jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>> Subject: Re: [Jmol-developers] Still Crystal no, that's just for formatting the the code within the editor. Sorry I mentioned it. Within the debugger (where I usually work) I right-click on src in the navigator window. A context menu pops up, and you select team --> synchronize then go from there. I check the files for conflicts, then do an update first, then a commit. Bob On Fri, Feb 26, 2010 at 4:21 PM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>> wrote: Then selected what I want to update just ALT-S and it should be updated trough SVN? Thanks -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>>] Sent: Friday, February 26, 2010 6:52 PM To: jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>> Subject: Re: [Jmol-developers] Still Crystal Oh, sorry -- ALT-S, not CTRL-S. Don't worry about it! It's just something some people have done and it makes life more difficult. Who can help Piero get going with Eclipse? On Fri, Feb 26, 2010 at 11:59 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>>> wrote: Dear all, thanks for all! Bob, I try to upload my CrystalReader class corrected with eclipse once I selected the interested the class I want to upload I pressed CTRL-S-N as you said, and and pops up a windows what should I do ! I am sorry I have never used eclipse this way. Thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>>>] Sent: Friday, February 26, 2010 5:40 PM To: P.Canepa; Jmol Developers Subject: Re: Still Crystal Welcome, Piero Canepa, our newest Jmol developer! Piero is at the University of Kent (physics, right?) working on a Crystal0X file reader (http://www.crystal.unito.it/). The interesting thing about this reader is that it has 2D and 1D periodicity as well as standard 3D periodicity. Piero and I have been working on this for a few weeks, and it is looking very good now. Still a few capabilities to include, still testing. Not "ready for release" to users quite yet, perhaps. Piero, as you add capabilities, just add some comments at the top of the file. I'll get automatic messages that indicate you have changed files, but it's still nice if you send messages to that effect anyway at mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>>>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>><mailto:mol...@li...<mailto:mol...@li...><mailto:mol...@li...<mailto:mol...@li...>>>>> . Please start using "Jmol Developers" <jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>><mailto:jmo...@li...<mailto:jmo...@li...><mailto:jmo...@li...<mailto:jmo...@li...>>>>>> for communication with me on this so that other developers can chime in as need be. A few conventions: ** Please, if you are using Eclipse, do not use CTRL-S-F --- that reformats the entire file and makes it hard to see what changes are there. What I do is to highlight sections of code and then use CTRL-S-N. ** Please use standard Java conventions for variable names. That means starting with lower case and no underscores: float[] irFrequencies .... not float[] IRFrequencies .... and not float[] ir_frequencies ... for example. It doesn't matter so much, but just letting you know that I will go in and fix those if you don't, and then you will have to resynchronize! ** Always check for updates before you check code back in. I'll try to stay out of your way, but if I see a bug, I may go ahead and fix it myself. I'll try to just tell you it is there. ** Anything else you see there that needs fixing, do tell us! ** We make releases periodically. If new features are added, those are indicated in viewer.jmol.properties. Mostly don't add information there if it is just a simple change in code in a reader, at least for now; but later if we make bug fixes, they are all indicated there. Looking forward to working with you, Bob On Fri, Feb 26, 2010 at 11:02 AM, P.Canepa <pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>>>> wrote: ok It would be nice I have an acount for sourceforge! My username is pierocanepa -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>><mailto:pc...@ke...<mailto:pc...@ke...><mailto:pc...@ke...<mailto:pc...@ke...>>>>> mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Robert Hanson [ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>><mailto:ha...@st...<mailto:ha...@st...><mailto:ha...@st...<mailto:ha...@st...>>>>>] Sent: Friday, February 26, 2010 4:53 PM To: P.Canepa Subject: Re: Still Crystal Piero, Time to make you a Jmol developer. Would you like to do that? For that you need a SourceForge account. It would be with the understanding that you would restrict your changes to this reader (at least for now). OK? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>><mailto:Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>>><mailto:Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>><mailto:Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>>>> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>><mailto:Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>>> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...><mailto:Jmo...@li...<mailto:Jmo...@li...>> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmo...@li...<mailto:Jmo...@li...> https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |