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From: Bernd S. <ber...@us...> - 2009-05-28 08:24:42
|
Update of /cvsroot/echempp/CVSROOT In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv29264 Modified Files: loginfo Log Message: switched off commit mails to all developers Index: loginfo =================================================================== RCS file: /cvsroot/echempp/CVSROOT/loginfo,v retrieving revision 1.2 retrieving revision 1.3 diff -C2 -d -r1.2 -r1.3 *** loginfo 13 May 2006 11:59:10 -0000 1.2 --- loginfo 28 May 2009 08:24:33 -0000 1.3 *************** *** 25,27 **** # or #DEFAULT (echo ""; id; echo %{sVv}; date; cat) >> $CVSROOT/CVSROOT/commitlog ! DEFAULT /cvsroot/sitedocs/CVSROOT/cvstools/syncmail %{sVv} ech...@li... --- 25,29 ---- # or #DEFAULT (echo ""; id; echo %{sVv}; date; cat) >> $CVSROOT/CVSROOT/commitlog ! # changed by BS 28.05.2009, send commit mails only to bs ! #DEFAULT /cvsroot/sitedocs/CVSROOT/cvstools/syncmail %{sVv} ech...@li... ! DEFAULT /cvsroot/sitedocs/CVSROOT/cvstools/syncmail %{sVv} ber...@cw... |
From: Bernd S. <ber...@us...> - 2009-05-28 08:15:21
|
Update of /cvsroot/echempp/Utilities/Algorithms/test In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv28746 Modified Files: Makefile.am Log Message: updated Makefiles: AM_CPPFLAGS Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Utilities/Algorithms/test/Makefile.am,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -d -r1.3 -r1.4 *** Makefile.am 6 Jan 2006 21:52:09 -0000 1.3 --- Makefile.am 28 May 2009 08:15:07 -0000 1.4 *************** *** 4,6 **** -DTIXML_USE_STL ! INCLUDES = -I.. --- 4,6 ---- -DTIXML_USE_STL ! AM_CPPFLAGS = -I.. |
From: Bernd S. <ber...@us...> - 2009-05-28 08:14:16
|
Update of /cvsroot/echempp/Utilities/Patterns/test In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv28622 Modified Files: Makefile.am Log Message: updated Makefiles: AM_CPPFLAGS Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Utilities/Patterns/test/Makefile.am,v retrieving revision 1.2 retrieving revision 1.3 diff -C2 -d -r1.2 -r1.3 *** Makefile.am 4 Jul 2004 13:01:43 -0000 1.2 --- Makefile.am 28 May 2009 08:14:00 -0000 1.3 *************** *** 4,6 **** test2_SOURCES = test2.cpp test2_CXXFLAGS = -Wall -Werror -pedantic-errors -Wno-deprecated ! INCLUDES = -I.. \ No newline at end of file --- 4,7 ---- test2_SOURCES = test2.cpp test2_CXXFLAGS = -Wall -Werror -pedantic-errors -Wno-deprecated ! ! AM_CPPFLAGS = -I.. |
From: Bernd S. <ber...@gm...> - 2009-05-02 12:31:26
|
Dear fellow developers of EChem++, some time ago, I configured the Echem++ cvs system to send automatic notification e-mails to all adresses listed in the echempp-devel list at sourceforge. Sometimes this might be annoying if many small changes are submitted. Also, sometimes rather large e-mails result, and this may fill up mail boxes. Thus, I am not sure at present, if this feature should be kept. Can I have your opinion? If nobody relies on this feature, I might cancel it in the future. Please let me know. Best regards Bernd |
From: Bernd S. <ber...@us...> - 2009-04-30 20:33:51
|
Update of /cvsroot/echempp/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv15337 Added Files: futureDevelopments.txt Log Message: new documentation file, not yet linked --- NEW FILE: futureDevelopments.txt --- /*! \page EChem++FutureDevelopments Future Developments Here, some possible and tentative future developments within the EChem++ software package are discussed: -# The EChem++ main program source code should be moved from `deep in the directory tree' to a separate directory directly under the top EChem++ directory. The duty of the main program should be: - start up - read the command line options - check files and directories - generate one object of type EChempp (see below) - if appropriate start the GUI - or start stand-alone calculations . The main program source code should be in a file EChem++Main.cpp. -# All calculations should be possible without the use of the GUI. This should be advantageous in situations where there are problems with the graphical system. -# There should be class EChempp wich collects all relevant information, for example - a pointer to the experiment vector - information about the graphics window, its size, ID etc. -# Typical options to the main program should be given on the command line, such as: - a logfile name - an input file - the -noGUI option (for starting the non-GUI stand-alone version); if -noGUI is given, always an input file must be provided . If there are several command line options which are not consistent, the last one should be used. -# Extensive log facilities should be implemented. -# There should be a brief man page. -# The GUI should only be used for input and ouput of data, i.e. it should read contents and put it into some data members, and/or present and visialize internal data. It should not be essential for calculations. -# There should be additional configure options, e.g. -withoutGUI (compiles without the use of a GUI. This might be implemented by defining some macro values and adding some conditionals into the source, to exclude the GUI-relevant code from compilation. -# The build process should be improved, for example using some boost m4-macsors to find the correct boost libraries automatically. back to \ref EChem++Introduction "EChem++ start page" */ |
From: Bernd S. <ber...@us...> - 2009-04-30 20:33:13
|
Update of /cvsroot/echempp/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv15280 Modified Files: Notes.log Log Message: corrected Notes Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/documentation/Notes.log,v retrieving revision 1.17 retrieving revision 1.18 diff -C2 -d -r1.17 -r1.18 *** Notes.log 26 Apr 2009 17:06:52 -0000 1.17 --- Notes.log 30 Apr 2009 20:33:06 -0000 1.18 *************** *** 303,304 **** --- 303,332 ---- example xml files can not be read: `stream error'. + + 26.04.2009 + + The old VTK versions are available at http://www.vtk.org/files/release/4.4 + - just download VTK-4.4.2.tar.gz (by right click on the link). + + It appears that the stream error occurs in reading the first (and main) object + (Experiment) through boots serialization. (solved 20.04.2009) + + 28.04.2009 + + Started to add a future developments section to the documentation. ToDo: link this into the + main page. + + 29.04.2009 + + The `stream error' problem has been solved: there was a change in the name of the base quantity + of a variable from ABQ to BQ. This name is used in the xml archive and did no longer match. + All example*.xml files haven been adapted. + There is a problem with the results of example9.xml. The CV at boundary b<1> seems to be wrong + (just a straight line). + + 30.04.2009 + + The example9.xml problem was corrected by Steffi Benthin. + However, repeating a simulation for a second time generates a segmentation fault at the end. + This seems to be tha case only for examples, where two CVs are visualized side by side. Repetition + of single curve CVs is no problem. |
From: Bernd S. <ber...@us...> - 2009-04-30 20:31:29
|
Update of /cvsroot/echempp/Experiment/Experiment/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv14701 Modified Files: Notes.log Log Message: updated Notes Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/Experiment/Experiment/documentation/Notes.log,v retrieving revision 1.22 retrieving revision 1.23 diff -C2 -d -r1.22 -r1.23 *** Notes.log 29 Mar 2008 11:51:09 -0000 1.22 --- Notes.log 30 Apr 2009 20:31:11 -0000 1.23 *************** *** 223,224 **** --- 223,234 ---- typedef boost::date_time::special_values_parser<date_type,CharT> special_values_parser_type; + + 28.04.2009 + + another patch for boost 1.34.1: + + add #include<limits.h> to boost/test/test_tools.hpp + + Also, to compile ExperimentTest (make check in Experiment/Experiment) with gcc-4.3 added some compiler + flags to suppress warnings (no-uninitialized, no-parentheses, no-write-string). + Furthermore, -DTIXML_USE_STL flag can be deleted. |
From: Bernd S. <ber...@us...> - 2009-04-30 20:30:47
|
Update of /cvsroot/echempp/Experiment/Experiment/test In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv14560 Modified Files: Makefile.am Log Message: added gcc-4.3.x compatibility; LDFLAGS Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Experiment/Experiment/test/Makefile.am,v retrieving revision 1.16 retrieving revision 1.17 diff -C2 -d -r1.16 -r1.17 *** Makefile.am 27 Mar 2008 13:04:27 -0000 1.16 --- Makefile.am 30 Apr 2009 20:30:41 -0000 1.17 *************** *** 16,19 **** --- 16,23 ---- -L$(LOKILIB) -lloki + # needed to find correct library if several versions are available in different + # directories + ExperimentTest_LDFLAGS = -L$(QUANTITIESLIB) + INCLUDES = -I../../../Experiment \ -I$(LOKISRC) \ *************** *** 22,24 **** -I$(BOOSTSRC) ! ExperimentTest_CXXFLAGS = -Wall -Werror -pedantic-errors -DTIXML_USE_STL=YES --- 26,34 ---- -I$(BOOSTSRC) ! # to be compiled with gcc-4.3: ! # -Wno-parentheses needed for boost 1.34 - in order to avoid warnings ! # -Wno-write-strings - same ! # -Wno-uninitialized - does not help, -Werror has been deleted instead ! # TIXML_USE_STL no longer needed ! ExperimentTest_CXXFLAGS = -Wall -pedantic-errors -Wno-uninitialized \ ! -Wno-parentheses -Wno-write-strings |
From: Bernd S. <ber...@us...> - 2009-04-30 20:29:11
|
Update of /cvsroot/echempp/Experiment/Experiment In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv14180 Modified Files: Experiment.hpp Log Message: deleted test output statements Index: Experiment.hpp =================================================================== RCS file: /cvsroot/echempp/Experiment/Experiment/Experiment.hpp,v retrieving revision 1.11 retrieving revision 1.12 diff -C2 -d -r1.11 -r1.12 *** Experiment.hpp 27 Mar 2008 13:34:12 -0000 1.11 --- Experiment.hpp 30 Apr 2009 20:28:54 -0000 1.12 *************** *** 482,486 **** ar & BOOST_SERIALIZATION_BASE_OBJECT_NVP(_AtomicBase) & BOOST_SERIALIZATION_NVP(induction_start) ! & BOOST_SERIALIZATION_NVP(induction_end) & BOOST_SERIALIZATION_NVP(cond_data); } --- 482,486 ---- ar & BOOST_SERIALIZATION_BASE_OBJECT_NVP(_AtomicBase) & BOOST_SERIALIZATION_NVP(induction_start) ! & BOOST_SERIALIZATION_NVP(induction_end) & BOOST_SERIALIZATION_NVP(cond_data); } |
From: Bernd S. <ber...@us...> - 2009-04-30 20:26:53
|
Update of /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv13801 Modified Files: modelMainWindow.cpp Log Message: deleted test output statements Index: modelMainWindow.cpp =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/modelMainWindow.cpp,v retrieving revision 1.65 retrieving revision 1.66 diff -C2 -d -r1.65 -r1.66 *** modelMainWindow.cpp 16 Sep 2008 20:03:02 -0000 1.65 --- modelMainWindow.cpp 30 Apr 2009 20:26:39 -0000 1.66 *************** *** 290,294 **** { ecount = 0; - std::cout << "ep = " << ep << std::endl; if(ep != NULL) { --- 290,293 ---- *************** *** 880,886 **** } } - std::cout << "Before delete fd" << std::endl; delete fd; - std::cout << "After delete fd" << std::endl; } --- 879,883 ---- |
From: Bernd S. <ber...@us...> - 2009-04-26 17:28:56
|
Update of /cvsroot/echempp In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv15534 Modified Files: Makefile.am Log Message: updated build system for recent libtool Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Makefile.am,v retrieving revision 1.16 retrieving revision 1.17 diff -C2 -d -r1.16 -r1.17 *** Makefile.am 21 Jan 2006 13:38:12 -0000 1.16 --- Makefile.am 26 Apr 2009 17:28:43 -0000 1.17 *************** *** 29,32 **** --- 29,34 ---- EXTRA_DIST = Doxyfile + ACLOCAL_AMFLAGS = -I m4 + doc: cd documentation && $(MAKE) doc;\ |
From: Bernd S. <ber...@us...> - 2009-04-26 17:25:51
|
Update of /cvsroot/echempp/GUI In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv15342 Modified Files: configure.in Log Message: updated build system for x86_64 Index: configure.in =================================================================== RCS file: /cvsroot/echempp/GUI/configure.in,v retrieving revision 1.25 retrieving revision 1.26 diff -C2 -d -r1.25 -r1.26 *** configure.in 19 Dec 2007 13:33:37 -0000 1.25 --- configure.in 26 Apr 2009 17:25:35 -0000 1.26 *************** *** 293,296 **** --- 293,304 ---- fi + OLDGUI_LDFLAGS="$GUI_LDFLAGS" + + if test "x$ARCHTYPE" = xx86_64; then + GUI_LDFLAGS="$OLDGUI_LDFLAGS -L/usr/lib64 -L/usr/lib" + else + GUI_LDFLAGS="$OLDGUI_LDFLAGS -L/usr/lib" + fi + AC_MSG_CHECKING([MODEL_LDADD]) AC_MSG_RESULT([$MODEL_LDADD]) |
From: Bernd S. <ber...@us...> - 2009-04-26 17:21:11
|
Update of /cvsroot/echempp/Experiment/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv14954 Modified Files: Notes.log Log Message: corrected Notes Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/Experiment/documentation/Notes.log,v retrieving revision 1.11 retrieving revision 1.12 diff -C2 -d -r1.11 -r1.12 *** Notes.log 17 Mar 2008 20:24:18 -0000 1.11 --- Notes.log 26 Apr 2009 17:20:59 -0000 1.12 *************** *** 6,10 **** 07.03.2005 bs ! adapted to new namspace naming conventions in Quantities. 14.01.2006 --- 6,10 ---- 07.03.2005 bs ! adapted to new namespace naming conventions in Quantities. 14.01.2006 |
From: Bernd S. <ber...@us...> - 2009-04-26 17:20:07
|
Update of /cvsroot/echempp/Model/Adapters/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv14809 Modified Files: Notes.log Log Message: updated Notes Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/Model/Adapters/documentation/Notes.log,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** Notes.log 20 Jan 2008 19:53:34 -0000 1.4 --- Notes.log 26 Apr 2009 17:19:49 -0000 1.5 *************** *** 18,19 **** --- 18,29 ---- adapted Makefile.am to ginac: -Wno-non-virtual-dtor + + 27.07.2008 bs + + adapted homogeneousPowerLawParameters.cpp to stricter Quantities rules. This should be made consistent + with definitions in referenceParameters etc. Use Quantities more stictly! Of course, needs testing + after changes. + + 21.04.2009 bs + + the changes of 27.07.2008 do not seem to have been uploaded to the cvs repository yet. |
From: Bernd S. <ber...@us...> - 2009-04-26 17:11:47
|
Update of /cvsroot/echempp/Utilities In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv14014 Removed Files: acinclude.m4 Log Message: deleted superfluous acinclude.m4 in Utilities --- acinclude.m4 DELETED --- |
From: Bernd S. <ber...@us...> - 2009-04-26 17:06:58
|
Update of /cvsroot/echempp/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv13298 Modified Files: Notes.log Log Message: merged Notes.log from two sources Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/documentation/Notes.log,v retrieving revision 1.16 retrieving revision 1.17 diff -C2 -d -r1.16 -r1.17 *** Notes.log 26 Apr 2009 17:02:31 -0000 1.16 --- Notes.log 26 Apr 2009 17:06:52 -0000 1.17 *************** *** 236,248 **** 29.03.2008 ! To compile with gcc 4.3.0 ion a 64-bit system, the configure command line should include ! CXXFLAGS=-DBOOST_NO_INTRINSIC_INT64_T, since boost 1.35.0 does not correctly set this automatically. 20.05.2008 ! checking compile times with new Quantities version (using the QuantityTraits template; this is after ! deleting the dedimensionalization code in Quantities)) without the template: 1694.157u 63.867s 34:24.03 85.1% 0+0k 0+0io 4591pf+0w -rwxr-xr-x 1 bs users 17364127 2008-05-20 18:57 /home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Model/.libs/ModSim ! (note that the dedimensionalization deletion already has brought about a lot of improvement; the size of the executable was around 25 MB before!). --- 236,304 ---- 29.03.2008 ! To compile with gcc 4.3.0 ion a 64-bit system, the configure command ! line should include CXXFLAGS=-DBOOST_NO_INTRINSIC_INT64_T, since ! boost 1.35.0 does not correctly set this automatically. 20.05.2008 ! checking compile times with new Quantities version (using the ! QuantityTraits template; this is after deleting the dedimensionalization ! code in Quantities)) without the template: 1694.157u 63.867s 34:24.03 85.1% 0+0k 0+0io 4591pf+0w -rwxr-xr-x 1 bs users 17364127 2008-05-20 18:57 /home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Model/.libs/ModSim ! (note that the dedimensionalization deletion already has brought about a ! lot of improvement; the size of the executable was around 25 MB before!). ! ! 06.04.2009 ! ! some bug fixes according to gcc 4.3.1 warnings (missing parentheses; ! in kineticTerms.cpp and equilibriumTerms.cpp). ! ! The graphical user interface of EChem++ seems to have a problem. This has ! already been observed on openSUSE 10.3 (Frank Breher, reproduced by ! Steffi Benthin), and now appears also on 11.0. The program starts and ! then crashes with a segmentation fault deep in some of the graphic routines. ! On some installations even the X system is killed. ! ! Still even to compile under openSUSE 11.0 on a x86_64 system with both ! 32bit and 64bit libraries a couple of changes had to be made, mostly ! with regard to the build system. ! First, a recent version of libtool (2.2.6a) was installed. Since this is ! in parallel to the system version 1.5.26, the script runme_cvs.sh had ! to be changed. This could be deleted later, when only 2.2.6 is present in ! the system paths. (done, 20.04.2009) ! Moreover, ACLOCAL_AMFLAGS= -I m4 was added to the Makefile.am ! in the EChem++ root directory, according to the libtoolize documentation. ! This causes macro definition files to be placed in subdirectory m4. At ! present these are all generated files, so there is no need to add m4 to ! the cvs tree, however, this could change later. ! All aclocal.m4 needed to be deleted, in order to avoid version inconsistencies. ! ! With the new libtool in place, the code did compile, but not link. Obviously, ! there was an incorrect reference to libgmp and to some of the X libraries ! (first: libXi.so), which were taken from /usr/lib rather than /usr/lib64. ! This caused `wrong format' errors. These could be avoided by adding ! `-L/usr/lib64 -L/usr/lib' to variable GUI_LDFLAGS in the GUI configure.in file. ! This variable is later used in the ModSim Makefile.am. ! ! Still, with all these changes, the segfault problem mentioned above, occurs. ! ! 20.04.2009 ! ! The following applies to an openSUSE 11.0 system on a x86_64 architecture. ! ! After de-installation of the system libtool (1.5.26) and installation of ! libtool 2.2.6a as root in /usr/local, the runme script runme_cvs_libtool2.2.6.sh ! could be deleted. After reconfiguration EChem++ compiles and links. ! ! Furthermore, VTK version 4.4.2 (old, I had a tar file still lying around) was ! installed. With gcc 4.3.1, I had to change the include directives for <string> ! into <cstring> in VTK/Utilities/DICOMParser/DICOMFile.cxx (line 26), DICOMParser.cxx (line 39) and DICOMAppHelper.cxx (line 34) to get it compiled. ! Still, the segmentation fault problem remains, but it can be solved by using ! the correct path to the new VTK libraries in the LD_LIBRARY_PATH variable BEFORE ! the path to the more recent one. ! ! Simulations can be done, but some of the texts in the GUI are scrambled (some ! `0' superscripts are not correctly rendered). One problem is that the ! example xml files can not be read: `stream error'. |
From: Bernd S. <ber...@us...> - 2009-04-26 17:02:38
|
Update of /cvsroot/echempp/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv12870 Modified Files: Notes.log Log Message: added Notes Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/documentation/Notes.log,v retrieving revision 1.15 retrieving revision 1.16 diff -C2 -d -r1.15 -r1.16 *** Notes.log 29 Mar 2008 11:54:01 -0000 1.15 --- Notes.log 26 Apr 2009 17:02:31 -0000 1.16 *************** *** 221,225 **** 17.03.2008 bs ! In order to compile with gcc 4.3.0 the following changed have to be introduced to third party software: (1) boost 1.34.0: in boost/date_time/date_facet.hpp, line 432 --- 221,225 ---- 17.03.2008 bs ! In order to compile with gcc 4.3.0 the following changes have to be introduced to third party software: (1) boost 1.34.0: in boost/date_time/date_facet.hpp, line 432 *************** *** 234,235 **** --- 234,248 ---- in gmm 2.0.2 the line number is a little different, but make sure that both limits and climits are included. + + 29.03.2008 + To compile with gcc 4.3.0 ion a 64-bit system, the configure command line should include + CXXFLAGS=-DBOOST_NO_INTRINSIC_INT64_T, since boost 1.35.0 does not correctly set this automatically. + + 20.05.2008 + + checking compile times with new Quantities version (using the QuantityTraits template; this is after + deleting the dedimensionalization code in Quantities)) + without the template: 1694.157u 63.867s 34:24.03 85.1% 0+0k 0+0io 4591pf+0w + -rwxr-xr-x 1 bs users 17364127 2008-05-20 18:57 /home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Model/.libs/ModSim + (note that the dedimensionalization deletion already has brought about a lot of improvement; the size of the executable was around 25 MB before!). + |
From: Bernd S. <ber...@us...> - 2009-04-26 17:00:42
|
Update of /cvsroot/echempp/EChem++ In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv12531 Modified Files: EChem++.cc Log Message: corrected typo Index: EChem++.cc =================================================================== RCS file: /cvsroot/echempp/EChem++/EChem++.cc,v retrieving revision 1.5 retrieving revision 1.6 diff -C2 -d -r1.5 -r1.6 *** EChem++.cc 8 Nov 2004 12:55:03 -0000 1.5 --- EChem++.cc 26 Apr 2009 17:00:18 -0000 1.6 *************** *** 41,45 **** //! the language in which messages are communicated ! /*! ro be changed when creating a version for another language */ output_language language = english; --- 41,45 ---- //! the language in which messages are communicated ! /*! to be changed when creating a version for another language */ output_language language = english; |
From: Bernd S. <ber...@us...> - 2009-04-26 16:59:57
|
Update of /cvsroot/echempp/Model/Problem In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv12285 Modified Files: kineticTerm.cpp Log Message: added parentheses Index: kineticTerm.cpp =================================================================== RCS file: /cvsroot/echempp/Model/Problem/kineticTerm.cpp,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -d -r1.3 -r1.4 *** kineticTerm.cpp 4 Nov 2004 15:47:03 -0000 1.3 --- kineticTerm.cpp 26 Apr 2009 16:59:43 -0000 1.4 *************** *** 43,48 **** #ifdef EPP_DEBUG ! if( c.size() != _n | ! f.size() != _n ) { throw ProblemError("Vector size mismatch in KineticTerm::evaluate()"); --- 43,47 ---- #ifdef EPP_DEBUG ! if( (c.size() != _n) | (f.size() != _n) ) { throw ProblemError("Vector size mismatch in KineticTerm::evaluate()"); *************** *** 71,79 **** #ifdef EPP_DEBUG ! if( gmm::mat_nrows(Df) != _n | ! gmm::mat_ncols(Df) != _n | ! c.size() != _n | ! _terms.size() != _n | ! _species.size() != _n ) { throw ProblemError("Vector size mismatch in KineticTerm::evaluate()"); --- 70,78 ---- #ifdef EPP_DEBUG ! if( (gmm::mat_nrows(Df) != _n) | ! (gmm::mat_ncols(Df) != _n) | ! (c.size() != _n) | ! (_terms.size() != _n) | ! (_species.size() != _n) ) { throw ProblemError("Vector size mismatch in KineticTerm::evaluate()"); |
From: Bernd S. <ber...@us...> - 2009-04-26 16:59:40
|
Update of /cvsroot/echempp/Model/Problem In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv12190 Modified Files: equilibriumTerm.cpp Log Message: added parentheses Index: equilibriumTerm.cpp =================================================================== RCS file: /cvsroot/echempp/Model/Problem/equilibriumTerm.cpp,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** equilibriumTerm.cpp 25 Mar 2006 10:39:25 -0000 1.4 --- equilibriumTerm.cpp 26 Apr 2009 16:59:18 -0000 1.5 *************** *** 43,48 **** #ifdef EPP_DEBUG ! if( c.size() != _m | ! f.size() != _n ) { std::cout << "_m : " << _m << std::endl; --- 43,47 ---- #ifdef EPP_DEBUG ! if( (c.size() != _m) | (f.size() != _n) ) { std::cout << "_m : " << _m << std::endl; |
From: Bernd S. <ber...@us...> - 2009-04-03 19:17:19
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Update of /cvsroot/echempp/GUI In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv7311 Modified Files: acsite.m4 Log Message: GUI/acsite.m4 updated Index: acsite.m4 =================================================================== RCS file: /cvsroot/echempp/GUI/acsite.m4,v retrieving revision 1.8 retrieving revision 1.9 diff -C2 -d -r1.8 -r1.9 *** acsite.m4 26 Feb 2007 14:52:15 -0000 1.8 --- acsite.m4 3 Apr 2009 19:17:06 -0000 1.9 *************** *** 1,14 **** - dnl This file is extendend with the contents of the - dnl gwqt.m4 from the autoqt project http://autoqt.sourceforge.net/ - dnl-------------------------------------------------------------------------------- - dnl QT MACRO gw_CHECK_QT - dnl-------------------------------------------------------------------------------- - - # Check for Qt compiler flags, linker flags, and binary packages - AC_DEFUN([gw_CHECK_QT_MT], - [ - AC_REQUIRE([AC_PROG_CXX]) - AC_REQUIRE([AC_PATH_X]) - dnl---------------------------- dnl added by BS 26.2.2007 --- 1,2 ---- *************** *** 40,43 **** --- 28,43 ---- dnl---------------------------- + dnl This file is extendend with the contents of the + dnl gwqt.m4 from the autoqt project http://autoqt.sourceforge.net/ + dnl-------------------------------------------------------------------------------- + dnl QT MACRO gw_CHECK_QT + dnl-------------------------------------------------------------------------------- + + # Check for Qt compiler flags, linker flags, and binary packages + AC_DEFUN([gw_CHECK_QT_MT], + [ + AC_REQUIRE([AC_PROG_CXX]) + AC_REQUIRE([AC_PATH_X]) + AC_MSG_CHECKING([QTDIR]) AC_ARG_WITH([qtdir], [ --with-qtdir=DIR Qt installation directory [default=$QTDIR]], QTDIR=$withval) |
From: beeblbrox <bee...@us...> - 2008-09-16 13:03:08
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Update of /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv19980 Modified Files: modelMainWindow.cpp solverDialog.cpp Log Message: Patch for segmentation fault, when single experiment simulations are run twice. Due to delete instead of delete[] call. Index: solverDialog.cpp =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/solverDialog.cpp,v retrieving revision 1.90 retrieving revision 1.91 diff -C2 -d -r1.90 -r1.91 *** solverDialog.cpp 27 Mar 2008 13:11:55 -0000 1.90 --- solverDialog.cpp 16 Sep 2008 20:03:02 -0000 1.91 *************** *** 779,783 **** experiment::MeasurementDataCV* mdca = NULL; if(_meas_data != NULL) ! delete _meas_data; if(_cond_data->ec.potentialControlled) { --- 779,783 ---- experiment::MeasurementDataCV* mdca = NULL; if(_meas_data != NULL) ! delete[] _meas_data; if(_cond_data->ec.potentialControlled) { Index: modelMainWindow.cpp =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/modelMainWindow.cpp,v retrieving revision 1.64 retrieving revision 1.65 diff -C2 -d -r1.64 -r1.65 *** modelMainWindow.cpp 27 Mar 2008 13:11:54 -0000 1.64 --- modelMainWindow.cpp 16 Sep 2008 20:03:02 -0000 1.65 *************** *** 204,208 **** #endif ! this->ep = new experiment::cv::SimInduced(new experiment::ConditionDataModSim(), new experiment::MeasurementDataCV()); this->ep->set_title("New Experiment"); --- 204,208 ---- #endif ! this->ep = new experiment::cv::SimInduced(new experiment::ConditionDataModSim(), new experiment::MeasurementDataCV[1]); this->ep->set_title("New Experiment"); *************** *** 253,257 **** { ep = new experiment::cv::SimInduced(new experiment::ConditionDataModSim(), ! new experiment::MeasurementDataCV()); } if(ep->is_compound()) --- 253,257 ---- { ep = new experiment::cv::SimInduced(new experiment::ConditionDataModSim(), ! new experiment::MeasurementDataCV[1]); } if(ep->is_compound()) *************** *** 398,402 **** ia_xml >> BOOST_SERIALIZATION_NVP(ep); // needed since measurement data is not serialized anymore ! ep->set_meas_data(new experiment::MeasurementDataCV()); } catch(std::exception& e) --- 398,402 ---- ia_xml >> BOOST_SERIALIZATION_NVP(ep); // needed since measurement data is not serialized anymore ! ep->set_meas_data(new experiment::MeasurementDataCV[1]); } catch(std::exception& e) *************** *** 706,710 **** fd->setFilter( "EChem++ Project (*.xml)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "~/echempp/examples" ); QString fileName; --- 706,710 ---- fd->setFilter( "EChem++ Project (*.xml)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "." ); QString fileName; *************** *** 743,747 **** fd->setFilter( "EChem++ Project (*.xml)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "~/echempp/data" ); QString fileName; --- 743,747 ---- fd->setFilter( "EChem++ Project (*.xml)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "." ); QString fileName; *************** *** 1007,1011 **** ep = NULL; } ! this->ep = new experiment::cv::SimInduced(new experiment::ConditionDataModSim(), new experiment::MeasurementDataCV()); this->ep->set_title("New single Experiment"); } --- 1007,1011 ---- ep = NULL; } ! this->ep = new experiment::cv::SimInduced(new experiment::ConditionDataModSim(), new experiment::MeasurementDataCV[1]); this->ep->set_title("New single Experiment"); } *************** *** 1066,1070 **** fd->setFilter( "Text files (*.txt *.TXT)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "~/echempp/data" ); QString fileName; if ( fd->exec() == QDialog::Accepted ) --- 1066,1070 ---- fd->setFilter( "Text files (*.txt *.TXT)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "." ); QString fileName; if ( fd->exec() == QDialog::Accepted ) *************** *** 1120,1124 **** fd->setFilter( "Text files (*.txt *.TXT)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "~/echempp/data" ); QString fileName; --- 1120,1124 ---- fd->setFilter( "Text files (*.txt *.TXT)" ); fd->setViewMode( QFileDialog::List ); ! fd->setDir( "." ); QString fileName; |
From: Bernd S. <ber...@us...> - 2008-04-03 12:51:00
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Update of /cvsroot/echempp/Model/Ecco/documentation In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv5912 Modified Files: Notes.log Log Message: adapted grammer to deal with trailing whitespace Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/Model/Ecco/documentation/Notes.log,v retrieving revision 1.10 retrieving revision 1.11 diff -C2 -d -r1.10 -r1.11 *** Notes.log 29 Mar 2008 11:51:10 -0000 1.10 --- Notes.log 3 Apr 2008 12:50:57 -0000 1.11 *************** *** 98,99 **** --- 98,107 ---- by using Ecco after compilation. + + 03.04.2008 + + when the mechanism definition contained trailing whitespace, the parser + reported an error with boost 1.34.x, while id worked ok with boost 1.33.x. + The spirit web site (http://spirit.sourceforge.net/) shows a news + item dated Nov. 28, 2007, explaining the difference between versions. + The grammer in parser.hpp was updated according to option 2 given there. |
From: Bernd S. <ber...@us...> - 2008-04-03 12:47:59
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Update of /cvsroot/echempp/Model/Ecco In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv4600 Modified Files: parser.hpp Log Message: adapted grammer to deal with trailing whitespace Index: parser.hpp =================================================================== RCS file: /cvsroot/echempp/Model/Ecco/parser.hpp,v retrieving revision 1.15 retrieving revision 1.16 diff -C2 -d -r1.15 -r1.16 *** parser.hpp 27 Mar 2008 13:39:47 -0000 1.15 --- parser.hpp 3 Apr 2008 12:47:48 -0000 1.16 *************** *** 527,532 **** //--------------------------------------------------------------- reactionNetwork ! = reactionBlock >> *( reactionBlock ) ; --- 527,534 ---- //--------------------------------------------------------------- + // 03.04.2008 added ">> boost::spirit::end_p" to adapt to boost 1.34.x + // bs reactionNetwork ! = reactionBlock >> *( reactionBlock ) >> boost::spirit::end_p ; |
From: beeblbrox <bee...@us...> - 2008-04-01 19:58:55
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Update of /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv6824/GUI/Windows/Qt/EChem++/Model Modified Files: modelParametersDialog.cpp Log Message: Fixed initialization of table parameters, which can caused problems with gcc-4.1 on AMD64 since they are not initilized to 0 by default. Index: modelParametersDialog.cpp =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/modelParametersDialog.cpp,v retrieving revision 1.87 retrieving revision 1.88 diff -C2 -d -r1.87 -r1.88 *** modelParametersDialog.cpp 20 Jan 2008 23:57:17 -0000 1.87 --- modelParametersDialog.cpp 1 Apr 2008 19:58:50 -0000 1.88 *************** *** 228,231 **** --- 228,247 ---- _hetSurfGenericTable->verticalHeader()->setResizeEnabled(FALSE); + + _cond_data->mpc.numRowsDissSpecies = 0; + _cond_data->mpc.numRowsAdsSpecies = 0; + _cond_data->mpc.numRowsSaturation = 0; + _cond_data->mpc.numRowsBvDiss = 0; + _cond_data->mpc.numRowsBvAds = 0; + _cond_data->mpc.numRowsLangmuir = 0; + _cond_data->mpc.numRowsHomPower = 0; + _cond_data->mpc.numRowsHomGen = 0; + _cond_data->mpc.numColsHomGen = 0; + _cond_data->mpc.numRowsHomSurfPower = 0; + _cond_data->mpc.numRowsHomSurfGen = 0; + _cond_data->mpc.numColsHomSurfGen = 0; + _cond_data->mpc.numRowsHetSurfPower = 0; + _cond_data->mpc.numRowsHetSurfGen = 0; + _cond_data->mpc.numColsHetSurfGen = 0; } |