Re: [Gausssum-help] (no subject)
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From: Noel O'B. <bao...@gm...> - 2018-01-01 11:09:33
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Dear Ojha, Due to recent changes in cclib, I needed to make some changes to GaussSum. I will be making a new release soon to make these changes available. To get Tkinter to work on centos, you may need to install the python3-tkinter package. - Noel On 30 December 2017 at 13:32, Rajendra P. OJHA via Gausssum-help < gau...@li...> wrote: > Dear Sir, > We are not able to use GaussSum completely. We not able to > calculate difference energy for orbitals. It gives error during use of > tutorial files also. > > How to find the % contribution of a group to each molecular orbital > (PDOS), > How to find the nature of the overlap between different groups of atoms > (COOP) > > cclib has problems parsing PhCCCC_pop.out > I use centos 6.8 and wish to use GaussSum for my research work > We installed cclib 1.13 and cclib 1.5 but it does not work when it was > installed on anaconda3. > When We installed Python 3.3 , 3.6.3, 3.6.4 then tkinker does not work. > > How should we installed Python3 and other libraries files on centos so > than we can use GaussSum to calculate difference orbitals. > With anaconda I am able to use other modules of the GaussSum. > > Thanks and with regards, > Ojha > > =========================================================== Prof. R. P. > Ojha | Email: rp...@ya... Biophysics Unit | > Fax:+91-551-2330767;2340459 Department of Physics | Phone:(L) > +91-551-2202167 D.D.U. Gorakhpur University | (O) +91-551-2332398 Gorakhpur > - 273 009, | +91-551-2321473 INDIA | (M) +91- 9415491486 > =========================================================== > > ------------------------------------------------------------ > ------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > Gausssum-help mailing list > Gau...@li... > https://lists.sourceforge.net/lists/listinfo/gausssum-help > > |