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

[nisihara225 at gmail.com]

Dear Filippo,

> why not merging immidiately to allow more comprehensive testing with the full suite (which is also evolving)?
I tested my code with stable version (6.1).
I will rebase my branch onto the official branch.

> 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?
I understand that pull-request is not available, now.

Regards,
Satomichi


差出人: Filippo Spiga
送信日時: 2017年3月26日 21:10
宛先: nisihara225 at gmail.com
CC: General discussion list for Quantum ESPRESSO developers
件名: Fwd: [Q-e-developers] Customized version of QEv6.1

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 .
 
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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