[Q-e-developers] Fwd: Customized version of QEv6.1

[Filippo Spiga]

Hi Satomichi,

why not merging immidiately to allow more comprehensive testing with the full suite (which is also evolving)?

If we were developing under GIT usign GitHub, this would have been a simple pull request using a click of a buttom with no hassle at all but unfortunately we are still in the SVN world. A patch applied to the SVN can work as well at this stage, right?


Begin forwarded message:
> From: <nisihara225 at gmail.com>
> Subject: [Q-e-developers] Customized version of QEv6.1
> Date: March 26, 2017 at 3:17:02 AM GMT+1
> To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>, "q-e-developers at qe-forge.org" <q-e-developers at qe-forge.org>
> Reply-To: General discussion list for Quantum ESPRESSO developers <q-e-developers at qe-forge.org>
> 
> Dear Quantum ESPRESSO’s users and developers,
>  
> I have released Customized version of QEv6.1:
> https://github.com/nisihara1/q-e/releases/tag/v6.1-nisihara <https://github.com/nisihara1/q-e/releases/tag/v6.1-nisihara> .
>  
> Some algorithms are implemented in this release:
>   * New geometry optimization (SR1-BFGS)
>   * New NEB optimization (L-BFGS, L-SR1)
>   * RMM-DIIS diagonalization to solve KS-equation
>  
> SCF and relaxation calculations may be faster.
> I hope that this version will be used by everyone.
> If it will have earned a good reputation, I will pull-request onto the official repository.

--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga

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