Re: [Gausssum-help] (no subject)

[Noel O'B. <bao...@gm...>]

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
> ===========================================================
>
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