[Q-e-developers] [Pw_forum] Implemention of 3D-RISM-SCF & Registration request to QE-Forge

[Paolo Giannozzi]

Dear Satomichi Nishihara

thank you for your interest in Quantum ESPRESSO and for your contribution.
The best way to contact developers is via the  <q-e-developers at qe-forge.org>
mailing list.  I haven't found any request by you of a qe-forge.org
account. What would you like to commit and to which svn?

Paolo

On Thu, Apr 30, 2015 at 6:44 AM, <nisihara225 at gmail.com> wrote:

>  Dear Developers of Quantum ESPRESSO,
>
> I am Satomichi Nishihara, a software engineer in Tokyo (Japan).
> I develop the code of Quantum ESPRESSO and research some algorisms
> of the First-Principles calculation, as my hobby.
>
> Now, I have implemented a new feature ‘3D-RISM-SCF’ to Quantum ESPRESSO.
> The 3D-RISM-SCF is an explicit solvent theory based on the Classical DFT.
> The GPL’s rules let me to open the source code.
> Thus, I would like to commit the source code to ‘QE-Forge’,
> Please register my account for the subversion system.
>
> Also, you can download the source code (implemented to Q.E. 5.1.1),
> through Microsoft’s OneDrive:
>
>
> *https://onedrive.live.com/redir?resid=24B4C78EF297907E!157&authkey=!AJbIy4N1KVHW29M&ithint=file%2czip*
> <https://onedrive.live.com/redir?resid=24B4C78EF297907E%21157&authkey=%21AJbIy4N1KVHW29M&ithint=file%2czip>
>
> This source code is tested by GFortran (at Ubuntu Linux).
>
> The main modules of the 3D-RISM-SCF are under QE-Module:
>   espresso-5.1.1_rism/Modules/RISM/ .
>
> The modifications of the existing source files are marked by
> a preprocessor variable ‘__NOT_RISM’ .
>
> The mamual of the 3D-RISM-SCF is written in
>   espresso-5.1.1_rism/PW/Doc/INPUT_PW.html and
>   espresso-5.1.1_rism/PP/Doc/INPUT_PP.html .
>
> The example calculations are in
>   espresso-5.1.1_rism/PW/examples/RISM_example
>
> Regards,
> Nishihara
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20150504/ffae88c9/attachment.html>