https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.dynamics.tmp/Recent changes to Developers.Variables.dynamics.tmpenThu, 20 Jun 2013 13:25:48 -0000https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.dynamics.tmp/<div class="markdown_content"><pre>--- v5 +++ v6 @@ -12,6 +12,6 @@ ---|--- tmp.couple | temperature coupling -[@tmp.rescaling](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/rescaling.m) | "Naive" rescaling +[@tmp.rescaling](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/rescaling.m) | ["Naive" velocity scaling](http://dx.doi.org/10.1016/0009-2614(71)80281-6) ---|--- No parameters | to be specified </pre> </div>Burkhard SchmidtThu, 20 Jun 2013 13:25:48 -0000https://sourceforge.netf5268a1a344f94c2bf56f3de6ac43902adb2cb11https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.dynamics.tmp/<div class="markdown_content"><pre>--- v4 +++ v5 @@ -5,6 +5,7 @@ [@tmp.andersen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/andersen.m) | [Andersen thermostat](http://dx.doi.org/10.1063/1.439486) ---|--- +tmp.couple | temperature coupling tmp.coll_freq | Collision frequency [@tmp.berendsen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/berendsen.m) | [Berendsen thermostat](http://dx.doi.org/10.1063/1.448118) </pre> </div>Burkhard SchmidtFri, 07 Jun 2013 14:08:50 -0000https://sourceforge.netd40c42f34602cd13a5737218d6d7c25bc07051adhttps://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.dynamics.tmp/<div class="markdown_content"><pre>--- v3 +++ v4 @@ -3,11 +3,11 @@ This variable specifies the choice of the "thermostat" algorithm and, if applicable, additional parameters -[@tmp.andersen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/andersen.m) | Andersen thermostat +[@tmp.andersen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/andersen.m) | [Andersen thermostat](http://dx.doi.org/10.1063/1.439486) ---|--- tmp.coll_freq | Collision frequency -[@tmp.berendsen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/berendsen.m) | Berendsen thermostat +[@tmp.berendsen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/berendsen.m) | [Berendsen thermostat](http://dx.doi.org/10.1063/1.448118) ---|--- tmp.couple | temperature coupling </pre> </div>Burkhard SchmidtFri, 07 Jun 2013 11:54:43 -0000https://sourceforge.netf6c2cf0d2076b9f985c0981585557888e6c6c853https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.dynamics.tmp/<div class="markdown_content"><pre>--- v2 +++ v3 @@ -13,4 +13,4 @@ [@tmp.rescaling](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/rescaling.m) | "Naive" rescaling ---|--- -Nothing | to be specified +No parameters | to be specified </pre> </div>Burkhard SchmidtFri, 07 Jun 2013 11:45:48 -0000https://sourceforge.net4651470ccc6e013d1e8e15bfa105343a5bb0b6eehttps://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.dynamics.tmp/<div class="markdown_content"><pre>--- v1 +++ v2 @@ -5,12 +5,12 @@ [@tmp.andersen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/andersen.m) | Andersen thermostat ---|--- -To be done | bla bla +tmp.coll_freq | Collision frequency [@tmp.berendsen](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/berendsen.m) | Berendsen thermostat ---|--- -To be done | bla bla +tmp.couple | temperature coupling [@tmp.rescaling](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/rescaling.m) | "Naive" rescaling ---|--- -To be done | bla bla +Nothing | to be specified </pre> </div>Burkhard SchmidtFri, 07 Jun 2013 11:15:41 -0000https://sourceforge.net5a257c14b2ad630bf55fae7bab73ce6cff9668eehttps://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.dynamics.tmp/<div class="markdown_content"><h1 id="variable-dynamicstmp-in-moldynsim">Variable "dynamics.tmp" in MolDynSim</h1> <p>This variable specifies the choice of the "thermostat" algorithm and, if applicable, additional parameters</p> <table> <thead> <tr> <th><a class="" href="https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/andersen.m">@tmp.andersen</a></th> <th>Andersen thermostat</th> </tr> </thead> <tbody> <tr> <td>To be done</td> <td>bla bla</td> </tr> </tbody> </table> <table> <thead> <tr> <th><a class="" href="https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/berendsen.m">@tmp.berendsen</a></th> <th>Berendsen thermostat</th> </tr> </thead> <tbody> <tr> <td>To be done</td> <td>bla bla</td> </tr> </tbody> </table> <table> <thead> <tr> <th><a class="" href="https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+tmp/rescaling.m">@tmp.rescaling</a></th> <th>"Naive" rescaling</th> </tr> </thead> <tbody> <tr> <td>To be done</td> <td>bla bla</td> </tr> </tbody> </table></div>Burkhard SchmidtFri, 07 Jun 2013 11:10:05 -0000https://sourceforge.netcfe53e54cb5cf2644e9a5f8d0fc4b95f0d00349c