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--></style></head><body lang=JA link=blue vlink="#954F72"><div class=WordSection1><p class=MsoNormal><span lang=EN-US>Dear Filippo,</span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>> why not merging immidiately to allow more comprehensive testing with the full suite (which is also evolving)?<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>I tested my code with stable version (6.1).</span></p><p class=MsoNormal><span lang=EN-US>I will rebase my branch onto the official branch.</span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>> If we were developing under GIT usign GitHub, this would have been a simple pull request using a click of a <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>> 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?<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>I understand that pull-request is not available, now.</span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>Regards,</span></p><p class=MsoNormal><span lang=EN-US>Satomichi</span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0mm 0mm 0mm'><p class=MsoNormal style='border:none;padding:0mm'><b>差出人<span lang=EN-US>: </span></b><span lang=EN-US><a href="mailto:spiga.filippo@gmail.com">Filippo Spiga</a><br></span><b>送信日時<span lang=EN-US>: </span></b><span lang=EN-US>2017</span>年<span lang=EN-US>3</span>月<span lang=EN-US>26</span>日<span lang=EN-US> 21:10<br></span><b>宛先<span lang=EN-US>: </span></b><span lang=EN-US><a href="mailto:nisihara225@gmail.com">nisihara225@gmail.com</a><br><b>CC: </b><a href="mailto:q-e-developers@qe-forge.org">General discussion list for Quantum ESPRESSO developers</a><br></span><b>件名<span lang=EN-US>: </span></b><span lang=EN-US>Fwd: [Q-e-developers] Customized version of QEv6.1</span></p></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>Hi Satomichi,</span><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>why not merging immidiately to allow more comprehensive testing with the full suite (which is also evolving)?<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>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?<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>Begin forwarded message:<br><br><o:p></o:p></span></p><blockquote style='margin-top:5.0pt;margin-bottom:5.0pt'><div><p class=MsoNormal><b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>From: </span></b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'><<a href="mailto:nisihara225@gmail.com">nisihara225@gmail.com</a>></span><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p></div><div><p class=MsoNormal><b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>Subject: [Q-e-developers] Customized version of QEv6.1</span></b><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p></div><div><p class=MsoNormal><b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>Date: </span></b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>March 26, 2017 at 3:17:02 AM GMT+1</span><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p></div><div><p class=MsoNormal><b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>To: </span></b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>"<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>" <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>>, "<a href="mailto:q-e-developers@qe-forge.org">q-e-developers@qe-forge.org</a>" <<a href="mailto:q-e-developers@qe-forge.org">q-e-developers@qe-forge.org</a>></span><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p></div><div><p class=MsoNormal><b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>Reply-To: </span></b><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif'>General discussion list for Quantum ESPRESSO developers <<a href="mailto:q-e-developers@qe-forge.org">q-e-developers@qe-forge.org</a>></span><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div><p class=MsoNormal><span lang=EN-US>Dear Quantum ESPRESSO</span>’<span lang=EN-US>s users and developers,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> </span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>I have released Customized version of QEv6.1:</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><a href="https://github.com/nisihara1/q-e/releases/tag/v6.1-nisihara"><span style='color:#954F72'>https://github.com/nisihara1/q-e/releases/tag/v6.1-nisihara</span></a><span class=apple-converted-space> </span>.</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> </span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>Some algorithms are implemented in this release:</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> * New geometry optimization (SR1-BFGS)</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> * New NEB optimization (L-BFGS, L-SR1)</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> * RMM-DIIS diagonalization to solve KS-equation</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> </span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>SCF and relaxation calculations may be faster.</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>I hope that this version will be used by everyone.</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>If it will have earned a good reputation, I will pull-request onto the official repository.</span><span lang=EN-US><o:p></o:p></span></p></div></blockquote></div><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif;color:black'>--<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"Helvetica",sans-serif;color:black'>Filippo SPIGA ~ <a href="http://fspiga.github.io">http://fspiga.github.io</a> ~ skype: filippo.spiga<o:p></o:p></span></p></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri",sans-serif'><o:p> </o:p></span></p></div></body></html>