https://vasp.at/wiki/index.php?action=history&feed=atom&title=Template%3AMDCOMBINATIONS 2026-04-15T02:27:24Z Revision history for this page on the wiki MediaWiki 1.43.8 https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=32326&oldid=prev 2025-10-17T21:34:16Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 21:34, 17 October 2025</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l2">Line 2:</td> <td colspan="2" class="diff-lineno">Line 2:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                          ||colspan=&quot;6&quot; style=&quot;text-align: center;&quot;| [[:Category:Thermostats|Thermostat]]  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                          ||colspan=&quot;6&quot; style=&quot;text-align: center;&quot;| [[:Category:Thermostats|Thermostat]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|  style="text-align: center;"|[[:Category:Ensembles|Ensemble]]                || style="text-align: center;"|[[Andersen thermostat|Andersen]]        || style="text-align: center;"|[[Nosé-Hoover thermostat|Nosé-Hoover]]      || style="text-align: center;"|[[Langevin thermostat|Langevin]]        || style="text-align: center;"|[[Nosé-Hoover chain thermostat|<del style="font-weight: bold; text-decoration: none;">NHC</del>]]        || style="text-align: center;"|[[CSVR thermostat|CSVR]] || style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>|  style="text-align: center;"|[[:Category:Ensembles|Ensemble]]                || style="text-align: center;"|[[Andersen thermostat|Andersen]]        || style="text-align: center;"|[[Nosé-Hoover thermostat|Nosé-Hoover]]      || style="text-align: center;"|[[Langevin thermostat|Langevin]]        || style="text-align: center;"|[[Nosé-Hoover chain thermostat|<ins style="font-weight: bold; text-decoration: none;">Nosé-Hoover chain</ins>]]        || style="text-align: center;"|[[CSVR thermostat|CSVR]] || style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr> <!-- diff cache key mediawiki-vw:diff:1.41:old-32320:rev-32326:php=table --> </table>

Singraber https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=32320&oldid=prev 2025-10-17T21:28:06Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 21:28, 17 October 2025</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l2">Line 2:</td> <td colspan="2" class="diff-lineno">Line 2:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                          ||colspan=&quot;6&quot; style=&quot;text-align: center;&quot;| [[:Category:Thermostats|Thermostat]]  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                          ||colspan=&quot;6&quot; style=&quot;text-align: center;&quot;| [[:Category:Thermostats|Thermostat]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|  style="text-align: center;"|[[:Category:Ensembles|Ensemble]]                || style="text-align: center;"|[[Andersen thermostat|Andersen]]        || style="text-align: center;"|[[<del style="font-weight: bold; text-decoration: none;">Nose</del>-Hoover thermostat|<del style="font-weight: bold; text-decoration: none;">Nose</del>-Hoover]]      || style="text-align: center;"|[[Langevin thermostat|Langevin]]        || style="text-align: center;"|[[<del style="font-weight: bold; text-decoration: none;">Nose</del>-Hoover<del style="font-weight: bold; text-decoration: none;">-</del>chain thermostat|NHC]]        || style="text-align: center;"|[[CSVR thermostat|CSVR]] || style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>|  style="text-align: center;"|[[:Category:Ensembles|Ensemble]]                || style="text-align: center;"|[[Andersen thermostat|Andersen]]        || style="text-align: center;"|[[<ins style="font-weight: bold; text-decoration: none;">Nosé</ins>-Hoover thermostat|<ins style="font-weight: bold; text-decoration: none;">Nosé</ins>-Hoover]]      || style="text-align: center;"|[[Langevin thermostat|Langevin]]        || style="text-align: center;"|[[<ins style="font-weight: bold; text-decoration: none;">Nosé</ins>-Hoover chain thermostat|NHC]]        || style="text-align: center;"|[[CSVR thermostat|CSVR]] || style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr> <!-- diff cache key mediawiki-vw:diff:1.41:old-26897:rev-32320:php=table --> </table>

Singraber https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=26897&oldid=prev 2024-10-16T17:49:12Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:49, 16 October 2024</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>:{| cellpadding=&quot;5&quot; cellspacing=&quot;0&quot; border=&quot;1&quot;</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>:{| cellpadding=&quot;5&quot; cellspacing=&quot;0&quot; border=&quot;1&quot;</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|                          ||colspan="<del style="font-weight: bold; text-decoration: none;">4</del>" style="text-align: center;"| [[:Category:Thermostats|Thermostat]]  </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>|                          ||colspan="<ins style="font-weight: bold; text-decoration: none;">6</ins>" style="text-align: center;"| [[:Category:Thermostats|Thermostat]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|  style="text-align: center;"|[[:Category:Ensembles|Ensemble]]                || style="text-align: center;"|[[Andersen thermostat|Andersen]]        || style="text-align: center;"|[[Nose-Hoover thermostat|Nose-Hoover]]      || style="text-align: center;"|[[Langevin thermostat|Langevin]]        || style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>|  style="text-align: center;"|[[:Category:Ensembles|Ensemble]]                || style="text-align: center;"|[[Andersen thermostat|Andersen]]        || style="text-align: center;"|[[Nose-Hoover thermostat|Nose-Hoover]]      || style="text-align: center;"|[[Langevin thermostat|Langevin]]        <ins style="font-weight: bold; text-decoration: none;">|| style="text-align: center;"|[[Nose-Hoover-chain thermostat|NHC]]        || style="text-align: center;"|[[CSVR thermostat|CSVR]] </ins>|| style="text-align: center;"|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|Microcanonical (NVE)]]          || colspan="<del style="font-weight: bold; text-decoration: none;">4</del>" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0                           </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> </div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|Microcanonical (NVE)]]          || colspan="<ins style="font-weight: bold; text-decoration: none;">6</ins>" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0                           </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NVT ensemble|Canonical (NVT)]]          ||style="text-align: center;"|{{TAG|MDALGO}}=1 ||style="text-align: center;"|{{TAG|MDALGO}}=2  ||style="text-align: center;"| {{TAG|MDALGO}}=3 || style="text-align: center;"|{{TAG|MDALGO}}=13</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> </div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NVT ensemble|Canonical (NVT)]]          ||style="text-align: center;"|{{TAG|MDALGO}}=1 ||style="text-align: center;"|{{TAG|MDALGO}}=2  ||style="text-align: center;"| {{TAG|MDALGO}}=3 <ins style="font-weight: bold; text-decoration: none;">|| style="text-align: center;"| {{TAG|MDALGO}}=4 || style="text-align: center;"| {{TAG|MDALGO}}=5 </ins>|| style="text-align: center;"|{{TAG|MDALGO}}=13</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|                            style="text-align: center;"|{{TAG|ISIF}}=2  ||style="text-align: center;"|{{TAG|ISIF}}=2    ||style="text-align: center;"|{{TAG|ISIF}}=2    || style="text-align: center;"|{{TAG|ISIF}}=2</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>|                            style="text-align: center;"|{{TAG|ISIF}}=2  ||style="text-align: center;"|{{TAG|ISIF}}=2    <ins style="font-weight: bold; text-decoration: none;">||style="text-align: center;"|{{TAG|ISIF}}=2    || style="text-align: center;"|{{TAG|ISIF}}=2 </ins>||style="text-align: center;"|{{TAG|ISIF}}=2    || style="text-align: center;"|{{TAG|ISIF}}=2</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NpT ensemble|Isobaric-isothermal (NpT)]]          || rowspan="2" style="text-align: center;"|not available  || rowspan="2" style="text-align: center;"|not available    ||  style="text-align: center;"|{{TAG|MDALGO}}=3 || rowspan="2" style="text-align: center;"|not available  </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> </div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NpT ensemble|Isobaric-isothermal (NpT)]]          || rowspan="2" style="text-align: center;"|not available  || rowspan="2" style="text-align: center;"|not available    ||  style="text-align: center;"|{{TAG|MDALGO}}=3 <ins style="font-weight: bold; text-decoration: none;">|| rowspan="2" style="text-align: center;"|not available || rowspan="2" style="text-align: center;"|not available </ins>|| rowspan="2" style="text-align: center;"|not available</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|Isoenthalpic-isobaric (NpH)]]          || colspan="<del style="font-weight: bold; text-decoration: none;">4</del>" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|ISIF}}=3, {{TAG|LANGEVIN_GAMMA}}={{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> </div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|Isoenthalpic-isobaric (NpH)]]          || colspan="<ins style="font-weight: bold; text-decoration: none;">6</ins>" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|ISIF}}=3, {{TAG|LANGEVIN_GAMMA}}={{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td></tr> </table>

Jona https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=22870&oldid=prev 2023-11-20T16:32:08Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 16:32, 20 November 2023</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l14">Line 14:</td> <td colspan="2" class="diff-lineno">Line 14:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|Isoenthalpic-isobaric (NpH)]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|ISIF}}=3, {{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|Isoenthalpic-isobaric (NpH)]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|ISIF}}=3, <ins style="font-weight: bold; text-decoration: none;">{{TAG|LANGEVIN_GAMMA}}=</ins>{{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td></tr> </table>

Singraber https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=20300&oldid=prev 2023-04-24T12:19:24Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:19, 24 April 2023</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4">Line 4:</td> <td colspan="2" class="diff-lineno">Line 4:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|  style=&quot;text-align: center;&quot;|[[:Category:Ensembles|Ensemble]]                || style=&quot;text-align: center;&quot;|[[Andersen thermostat|Andersen]]        || style=&quot;text-align: center;&quot;|[[Nose-Hoover thermostat|Nose-Hoover]]      || style=&quot;text-align: center;&quot;|[[Langevin thermostat|Langevin]]        || style=&quot;text-align: center;&quot;|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|  style=&quot;text-align: center;&quot;|[[:Category:Ensembles|Ensemble]]                || style=&quot;text-align: center;&quot;|[[Andersen thermostat|Andersen]]        || style=&quot;text-align: center;&quot;|[[Nose-Hoover thermostat|Nose-Hoover]]      || style=&quot;text-align: center;&quot;|[[Langevin thermostat|Langevin]]        || style=&quot;text-align: center;&quot;|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|NVE]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0                           </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|<ins style="font-weight: bold; text-decoration: none;">Microcanonical (</ins>NVE<ins style="font-weight: bold; text-decoration: none;">)</ins>]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0                           </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NVT ensemble|NVT]]          ||style="text-align: center;"|{{TAG|MDALGO}}=1 ||style="text-align: center;"|{{TAG|MDALGO}}=2  ||style="text-align: center;"| {{TAG|MDALGO}}=3 || style="text-align: center;"|{{TAG|MDALGO}}=13</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NVT ensemble|<ins style="font-weight: bold; text-decoration: none;">Canonical (</ins>NVT<ins style="font-weight: bold; text-decoration: none;">)</ins>]]          ||style="text-align: center;"|{{TAG|MDALGO}}=1 ||style="text-align: center;"|{{TAG|MDALGO}}=2  ||style="text-align: center;"| {{TAG|MDALGO}}=3 || style="text-align: center;"|{{TAG|MDALGO}}=13</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                            style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2  ||style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2    ||style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2    || style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                            style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2  ||style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2    ||style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2    || style=&quot;text-align: center;&quot;|{{TAG|ISIF}}=2</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NpT ensemble|NpT]]          || rowspan="2" style="text-align: center;"|not available  || rowspan="2" style="text-align: center;"|not available    ||  style="text-align: center;"|{{TAG|MDALGO}}=3 || rowspan="2" style="text-align: center;"|not available  </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| rowspan="2" style="text-align: center;"|[[NpT ensemble|<ins style="font-weight: bold; text-decoration: none;">Isobaric-isothermal (</ins>NpT<ins style="font-weight: bold; text-decoration: none;">)</ins>]]          || rowspan="2" style="text-align: center;"|not available  || rowspan="2" style="text-align: center;"|not available    ||  style="text-align: center;"|{{TAG|MDALGO}}=3 || rowspan="2" style="text-align: center;"|not available  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|NpH]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|ISIF}}=3, {{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|<ins style="font-weight: bold; text-decoration: none;">Isoenthalpic-isobaric (</ins>NpH<ins style="font-weight: bold; text-decoration: none;">)</ins>]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|ISIF}}=3, {{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td></tr> <!-- diff cache key mediawiki-vw:diff:1.41:old-12241:rev-20300:php=table --> </table>

Huebsch https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=12241&oldid=prev 2021-03-17T15:55:23Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 15:55, 17 March 2021</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4">Line 4:</td> <td colspan="2" class="diff-lineno">Line 4:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|  style=&quot;text-align: center;&quot;|[[:Category:Ensembles|Ensemble]]                || style=&quot;text-align: center;&quot;|[[Andersen thermostat|Andersen]]        || style=&quot;text-align: center;&quot;|[[Nose-Hoover thermostat|Nose-Hoover]]      || style=&quot;text-align: center;&quot;|[[Langevin thermostat|Langevin]]        || style=&quot;text-align: center;&quot;|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|  style=&quot;text-align: center;&quot;|[[:Category:Ensembles|Ensemble]]                || style=&quot;text-align: center;&quot;|[[Andersen thermostat|Andersen]]        || style=&quot;text-align: center;&quot;|[[Nose-Hoover thermostat|Nose-Hoover]]      || style=&quot;text-align: center;&quot;|[[Langevin thermostat|Langevin]]        || style=&quot;text-align: center;&quot;|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|NVE]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=<del style="font-weight: bold; text-decoration: none;">0</del>,  {{TAG|<del style="font-weight: bold; text-decoration: none;">SMASS</del>}}=<del style="font-weight: bold; text-decoration: none;">-3 </del>                         </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|NVE]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=<ins style="font-weight: bold; text-decoration: none;">1</ins>,  {{TAG|<ins style="font-weight: bold; text-decoration: none;">ANDERSEN_PROB</ins>}}=<ins style="font-weight: bold; text-decoration: none;">0.0 </ins>                         </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>| rowspan=&quot;2&quot; style=&quot;text-align: center;&quot;|[[NVT ensemble|NVT]]          ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=1 ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=2  ||style=&quot;text-align: center;&quot;| {{TAG|MDALGO}}=3 || style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=13</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>| rowspan=&quot;2&quot; style=&quot;text-align: center;&quot;|[[NVT ensemble|NVT]]          ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=1 ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=2  ||style=&quot;text-align: center;&quot;| {{TAG|MDALGO}}=3 || style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=13</div></td></tr> </table>

Karsai https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=10200&oldid=prev 2019-10-08T08:35:14Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 08:35, 8 October 2019</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4">Line 4:</td> <td colspan="2" class="diff-lineno">Line 4:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|  style=&quot;text-align: center;&quot;|[[:Category:Ensembles|Ensemble]]                || style=&quot;text-align: center;&quot;|[[Andersen thermostat|Andersen]]        || style=&quot;text-align: center;&quot;|[[Nose-Hoover thermostat|Nose-Hoover]]      || style=&quot;text-align: center;&quot;|[[Langevin thermostat|Langevin]]        || style=&quot;text-align: center;&quot;|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|  style=&quot;text-align: center;&quot;|[[:Category:Ensembles|Ensemble]]                || style=&quot;text-align: center;&quot;|[[Andersen thermostat|Andersen]]        || style=&quot;text-align: center;&quot;|[[Nose-Hoover thermostat|Nose-Hoover]]      || style=&quot;text-align: center;&quot;|[[Langevin thermostat|Langevin]]        || style=&quot;text-align: center;&quot;|[[MDALGO#MDALGO=13: Multiple Anderson thermostats|Multiple Andersen]]  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|NVE]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=<del style="font-weight: bold; text-decoration: none;">1</del>,  {{TAG|<del style="font-weight: bold; text-decoration: none;">ANDERSEN_PROB</del>}}=<del style="font-weight: bold; text-decoration: none;">0.0 </del>                         </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NVE ensemble|NVE]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=<ins style="font-weight: bold; text-decoration: none;">0</ins>,  {{TAG|<ins style="font-weight: bold; text-decoration: none;">SMASS</ins>}}=<ins style="font-weight: bold; text-decoration: none;">-3 </ins>                         </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>| rowspan=&quot;2&quot; style=&quot;text-align: center;&quot;|[[NVT ensemble|NVT]]          ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=1 ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=2  ||style=&quot;text-align: center;&quot;| {{TAG|MDALGO}}=3 || style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=13</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>| rowspan=&quot;2&quot; style=&quot;text-align: center;&quot;|[[NVT ensemble|NVT]]          ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=1 ||style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=2  ||style=&quot;text-align: center;&quot;| {{TAG|MDALGO}}=3 || style=&quot;text-align: center;&quot;|{{TAG|MDALGO}}=13</div></td></tr> </table>

Karsai https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=9308&oldid=prev 2019-07-04T17:55:11Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:55, 4 July 2019</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l14">Line 14:</td> <td colspan="2" class="diff-lineno">Line 14:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|NpH]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, <del style="font-weight: bold; text-decoration: none;"> </del>{{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|NpH]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, <ins style="font-weight: bold; text-decoration: none;">{{TAG|ISIF}}=3, </ins>{{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td></tr> </table>

Karsai https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=9307&oldid=prev 2019-07-04T17:54:06Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:54, 4 July 2019</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l14">Line 14:</td> <td colspan="2" class="diff-lineno">Line 14:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|<del style="font-weight: bold; text-decoration: none;">NVE</del>]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3,  {{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|<ins style="font-weight: bold; text-decoration: none;">NpH</ins>]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3,  {{TAG|LANGEVIN_GAMMA_L}}=0.0</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td></tr> </table>

Karsai https://vasp.at/wiki/index.php?title=Template:MDCOMBINATIONS&diff=9306&oldid=prev 2019-07-04T17:53:54Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:53, 4 July 2019</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l14">Line 14:</td> <td colspan="2" class="diff-lineno">Line 14:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|                                      style=&quot;text-align: center;&quot;| {{TAG|ISIF}}=3   </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|-</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>| <del style="font-weight: bold; text-decoration: none;">rowspan="2" </del>style="text-align: center;"|[[NpH ensemble|<del style="font-weight: bold; text-decoration: none;">NpH</del>]]          || <del style="font-weight: bold; text-decoration: none;">rowspan</del>="<del style="font-weight: bold; text-decoration: none;">2</del>" <del style="font-weight: bold; text-decoration: none;">style="text-align: center;"|not available  || rowspan="2" style="text-align: center;"|not available    ||  </del>style="text-align: center;"|{{TAG|MDALGO}}=3 <del style="font-weight: bold; text-decoration: none;">|| rowspan="2" style="text-align: center;"|not available </del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>| style="text-align: center;"|[[NpH ensemble|<ins style="font-weight: bold; text-decoration: none;">NVE</ins>]]          || <ins style="font-weight: bold; text-decoration: none;">colspan</ins>="<ins style="font-weight: bold; text-decoration: none;">4</ins>" style="text-align: center;"| {{TAG|MDALGO}}=3<ins style="font-weight: bold; text-decoration: none;">,  </ins>{{TAG|<ins style="font-weight: bold; text-decoration: none;">LANGEVIN_GAMMA_L</ins>}}=<ins style="font-weight: bold; text-decoration: none;">0.0</ins></div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">|-</del></div></td><td colspan="2" class="diff-side-added"></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">|                                      style="text-align: center;"| </del>{{TAG|<del style="font-weight: bold; text-decoration: none;">ISIF</del>}}=<del style="font-weight: bold; text-decoration: none;">3</del></div></td><td colspan="2" class="diff-side-added"></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|}</div></td></tr> </table>

Karsai