Template:MDCOMBINATIONS: Difference between revisions
No edit summary |
No edit summary |
||
| Line 14: | Line 14: | ||
| style="text-align: center;"| {{TAG|ISIF}}=3 | | style="text-align: center;"| {{TAG|ISIF}}=3 | ||
|- | |- | ||
| | | style="text-align: center;"|[[NpH ensemble|NVE]] || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=3, {{TAG|LANGEVIN_GAMMA_L}}=0.0 | ||
|} | |} | ||
Revision as of 17:53, 4 July 2019
Thermostat Ensemble Andersen Nose-Hoover Langevin Multiple Andersen NVE MDALGO=1, ANDERSEN_PROB=0.0 NVT MDALGO=1 MDALGO=2 MDALGO=3 MDALGO=13 ISIF=2 ISIF=2 ISIF=2 ISIF=2 NpT not available not available MDALGO=3 not available ISIF=3 NVE MDALGO=3, LANGEVIN_GAMMA_L=0.0