<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Hi Satomichi,<div class=""><br class=""></div><div class="">why not merging immidiately to allow more comprehensive testing with the full suite (which is also evolving)?</div><div class=""><br class=""></div><div class="">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?</div><div class=""><br class=""><div class=""><div class=""><br class=""><div>Begin forwarded message:<br class=""><blockquote type="cite" class=""><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px;" class=""><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif; color:rgba(0, 0, 0, 1.0);" class=""><b class="">From: </b></span><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif;" class=""><<a href="mailto:nisihara225@gmail.com" class="">nisihara225@gmail.com</a>><br class=""></span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px;" class=""><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif; color:rgba(0, 0, 0, 1.0);" class=""><b class="">Subject: </b></span><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif;" class=""><b class="">[Q-e-developers] Customized version of QEv6.1</b><br class=""></span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px;" class=""><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif; color:rgba(0, 0, 0, 1.0);" class=""><b class="">Date: </b></span><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif;" class="">March 26, 2017 at 3:17:02 AM GMT+1<br class=""></span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px;" class=""><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif; color:rgba(0, 0, 0, 1.0);" class=""><b class="">To: </b></span><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif;" class="">"<a href="mailto:pw_forum@pwscf.org" class="">pw_forum@pwscf.org</a>" <<a href="mailto:pw_forum@pwscf.org" class="">pw_forum@pwscf.org</a>>, "<a href="mailto:q-e-developers@qe-forge.org" class="">q-e-developers@qe-forge.org</a>" <<a href="mailto:q-e-developers@qe-forge.org" class="">q-e-developers@qe-forge.org</a>><br class=""></span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px;" class=""><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif; color:rgba(0, 0, 0, 1.0);" class=""><b class="">Reply-To: </b></span><span style="font-family: -webkit-system-font, Helvetica Neue, Helvetica, sans-serif;" class="">General discussion list for Quantum ESPRESSO developers <<a href="mailto:q-e-developers@qe-forge.org" class="">q-e-developers@qe-forge.org</a>><br class=""></span></div><br class=""><div class=""><div class="WordSection1" style="page: WordSection1; font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;"><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" class="">Dear Quantum ESPRESSO’s users and developers,</span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class=""><o:p class=""> </o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class="">I have released Customized version of QEv6.1:<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class=""><a href="https://github.com/nisihara1/q-e/releases/tag/v6.1-nisihara" style="color: rgb(149, 79, 114); text-decoration: underline;" class="">https://github.com/nisihara1/q-e/releases/tag/v6.1-nisihara</a><span class="Apple-converted-space"> </span>.<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class=""><o:p class=""> </o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class="">Some algorithms are implemented in this release:<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class=""> * New geometry optimization (SR1-BFGS)<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class=""> * New NEB optimization (L-BFGS, L-SR1)<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class=""> * RMM-DIIS diagonalization to solve KS-equation<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class=""><o:p class=""> </o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class="">SCF and relaxation calculations may be faster.<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class="">I hope that this version will be used by everyone.<o:p class=""></o:p></span></div><div style="margin: 0mm 0mm 0.0001pt; text-align: justify; font-size: 10.5pt; font-family: 游ゴシック, sans-serif;" class=""><span lang="EN-US" style="font-size: 11pt;" class="">If it will have earned a good reputation, I will pull-request onto the official repository.<o:p class=""></o:p></span></div></div></div></blockquote></div><br class=""><div class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">--</div><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Filippo SPIGA ~ <span style="text-align: -webkit-auto;" class=""><a href="http://fspiga.github.io" class="">http://fspiga.github.io</a> ~ skype: filippo.spiga</span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></div></div></div></div></div></div></div></div></div>
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