https://wiki.iraspa.org/index.php?action=history&feed=atom&title=RASPA RASPA - Revision history 2026-04-17T15:16:29Z Revision history for this page on the wiki MediaWiki 1.31.0 https://wiki.iraspa.org/index.php?title=RASPA&diff=1137&oldid=prev David Dubbeldam at 11:05, 22 July 2018 2018-07-22T11:05:40Z <p></p> <table class="diff diff-contentalign-left" 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: #222; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 11:05, 22 July 2018</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'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| logo caption = RASPA logo</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| logo caption = RASPA logo</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J.H. Vlugt (Delft University of Technology, The Netherlands), Donald Ellis (Northwestern University, Evanston, USA), and Randall Q. Snurr (Northwestern University, Evanston, USA). &#160;</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J.H. Vlugt (Delft University of Technology, The Netherlands), Donald Ellis (Northwestern University, Evanston, USA), and Randall Q. Snurr (Northwestern University, Evanston, USA). &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="color: #222; 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>| latest release version = 2.0.<del class="diffchange diffchange-inline">34 </del></div></td><td class='diff-marker'>+</td><td style="color: #222; 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>| latest release version = 2.0.<ins class="diffchange diffchange-inline">35 </ins></div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| released = {{Start date and age|2015|02|26}}</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| released = {{Start date and age|2015|02|26}}</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| programming language = C</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| programming language = C</div></td></tr> </table> David Dubbeldam https://wiki.iraspa.org/index.php?title=RASPA&diff=1136&oldid=prev David Dubbeldam at 17:20, 20 July 2018 2018-07-20T17:20:49Z <p></p> <table class="diff diff-contentalign-left" 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: #222; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 17:20, 20 July 2018</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l22" >Line 22:</td> <td colspan="2" class="diff-lineno">Line 22:</td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>coexistence properties, adsorption isotherms for single and multiple components, self- and collective diffusivities,</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>coexistence properties, adsorption isotherms for single and multiple components, self- and collective diffusivities,</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>reaction systems, and visualization.</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>reaction systems, and visualization.</div></td></tr> <tr><td class='diff-marker'>−</td><td style="color: #222; 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>RASPA started in Northwestern University in a collaboration with University Pablo de Olavide.</div></td><td class='diff-marker'>+</td><td style="color: #222; 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>RASPA started in Northwestern University in a collaboration with University Pablo de Olavide <ins class="diffchange diffchange-inline">and later Delft University of Technology</ins>.</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>After 10 years of development, the software was released under the GNU General Public License in 2016.</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>After 10 years of development, the software was released under the GNU General Public License in 2016.</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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;"></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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;"></td></tr> </table> David Dubbeldam https://wiki.iraspa.org/index.php?title=RASPA&diff=1135&oldid=prev David Dubbeldam at 17:19, 20 July 2018 2018-07-20T17:19:32Z <p></p> <table class="diff diff-contentalign-left" 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: #222; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 17:19, 20 July 2018</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l29" >Line 29:</td> <td colspan="2" class="diff-lineno">Line 29:</td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>&lt;references/&gt;</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>&lt;references/&gt;</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>==External links==</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>==External links==</div></td></tr> <tr><td class='diff-marker'>−</td><td style="color: #222; 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>*[http://www.iraspa.org/ <del class="diffchange diffchange-inline">iRASPA </del>web site]</div></td><td class='diff-marker'>+</td><td style="color: #222; 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>*[http://www.iraspa.org/ <ins class="diffchange diffchange-inline">RASPA </ins>web site]</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>[[Category: Materials modelling and computer simulation codes]]</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>[[Category: Materials modelling and computer simulation codes]]</div></td></tr> </table> David Dubbeldam https://wiki.iraspa.org/index.php?title=RASPA&diff=1134&oldid=prev David Dubbeldam at 17:18, 20 July 2018 2018-07-20T17:18:57Z <p></p> <table class="diff diff-contentalign-left" 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: #222; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 17:18, 20 July 2018</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'>&#160;</td><td style="background-color: #f8f9fa; 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Vlugt (Delft University of Technology, The Netherlands), Donald Ellis (Northwestern University, Evanston, USA), and Randall Q. Snurr (Northwestern University, Evanston, USA). &#160;</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J.H. Vlugt (Delft University of Technology, The Netherlands), Donald Ellis (Northwestern University, Evanston, USA), and Randall Q. Snurr (Northwestern University, Evanston, USA). &#160;</div></td></tr> </table> David Dubbeldam https://wiki.iraspa.org/index.php?title=RASPA&diff=1131&oldid=prev David Dubbeldam at 17:11, 20 July 2018 2018-07-20T17:11:06Z <p></p> <table class="diff diff-contentalign-left" 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: #222; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 17:11, 20 July 2018</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'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>{{Infobox software</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>{{Infobox software</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| name = RASPA</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| name = RASPA</div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="color: #222; 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><ins style="font-weight: bold; text-decoration: none;">| logo = [[Image:RASPA-logo.jpg|200px|]]</ins></div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="color: #222; 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><ins style="font-weight: bold; text-decoration: none;">| logo caption = RASPA logo</ins></div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J.H. Vlugt (Delft University of Technology, The Netherlands), Donald Ellis (Northwestern University, Evanston, USA), and Randall Q. Snurr (Northwestern University, Evanston, USA). &#160;</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J.H. Vlugt (Delft University of Technology, The Netherlands), Donald Ellis (Northwestern University, Evanston, USA), and Randall Q. Snurr (Northwestern University, Evanston, USA). &#160;</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| latest release version = 2.0.34 &#160;</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>| latest release version = 2.0.34 &#160;</div></td></tr> </table> David Dubbeldam https://wiki.iraspa.org/index.php?title=RASPA&diff=669&oldid=prev David Dubbeldam: Created page with "{{Infobox software | name = RASPA | developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J..." 2018-07-20T08:15:45Z <p>Created page with &quot;{{Infobox software | name = RASPA | developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J...&quot;</p> <p><b>New page</b></p><div>{{Infobox software<br /> | name = RASPA<br /> | developer = David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (University Pablo de Olavide, Seville, Spain), Thijs J.H. Vlugt (Delft University of Technology, The Netherlands), Donald Ellis (Northwestern University, Evanston, USA), and Randall Q. Snurr (Northwestern University, Evanston, USA). <br /> | latest release version = 2.0.34 <br /> | released = {{Start date and age|2015|02|26}}<br /> | programming language = C<br /> | operating system = macOS, linux<br /> | genre = [[Molecular modelling]] <br /> | website = {{URL|www.iraspa.org}}<br /> | repo = {{URL|www.iraspa.org}}<br /> }}<br /> <br /> <br /> RASPA &lt;ref&gt;{{cite journal|last1=Dubbeldam|first1=David|last2=Calero|first2=Sofia|last3=Ellis|first3=Donald|last4=Snurr|first4=Randall|title=RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials|journal=Molecular Simulation Journal|date=February 26, 2015|volume=42|issue=2|pages=81–101|doi=10.1080/08927022.2015.1010082}}&lt;/ref&gt; is a software package for simulating adsorption<br /> and diffusion of molecules in flexible nanoporous materials.<br /> The code implements the latest state-of-the-art algorithms for Molecular Dynamics and Monte Carlo in various ensembles<br /> including symplectic/measure-preserving integrators, Ewald summation, Configurational-Bias Monte Carlo,<br /> Continuous Fractional Component Monte Carlo, Reactive Monte Carlo,<br /> and Baker&#039;s minimization. Applications of RASPA include computing<br /> coexistence properties, adsorption isotherms for single and multiple components, self- and collective diffusivities,<br /> reaction systems, and visualization.<br /> RASPA started in Northwestern University in a collaboration with University Pablo de Olavide.<br /> After 10 years of development, the software was released under the GNU General Public License in 2016.<br /> <br /> <br /> ==References==<br /> &lt;references/&gt;<br /> ==External links==<br /> *[http://www.iraspa.org/ iRASPA web site]<br /> [[Category: Materials modelling and computer simulation codes]]</div> David Dubbeldam