CP2K Open Source Molecular Dynamics

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exercises:common:ensemble [2022/10/31 17:27] – [NVT Ensemble] jglanexercises:common:ensemble [2022/10/31 17:28] (current) – [NVT Ensemble] jglan
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-Alternatively, one can also use [[https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/MOTION/MD/THERMOSTAT/CSVR.html| CSVR]] as developed by Giovanni [[https://doi.org/10.1063/1.2408420 |Bussi et al. ]]+Alternatively, one can also use [[https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/MOTION/MD/THERMOSTAT/CSVR.html| Canonical sampling through velocity rescaling 
 +(CSVR)]] as developed by Giovanni [[https://doi.org/10.1063/1.2408420 |Bussi et al. ]]
   &MD   &MD
     ENSEMBLE NVT     ENSEMBLE NVT
exercises/common/ensemble.1667237273.txt.gz · Last modified: 2022/10/31 17:27 by jglan