/md - Dépôt - scripts_chimie4psmn - Forge du Centre Blaise Pascal

chimie4psmn / md

Nom	Taille	Révision	Âge	Auteur	Commentaire
bm.py	10,51 ko	29	plus de 8 ans	Tao Jiang	Bluemoon rare event method with langevin thermo...
init.xyz	4,44 ko	30	plus de 8 ans	Tao Jiang	Initial structure for testing bm.py
langevin_bluemoon.py	5,72 ko	26	plus de 8 ans	Tao Jiang	Blue moon rare event ensamble with langevin the...
water_dipole.py	3,65 ko	28	plus de 8 ans	Tao Jiang	a script that calculates the angles between wat...

#	Date	Auteur	Commentaire
30	27/04/2017 13:52	Tao Jiang	Initial structure for testing bm.py
29	27/04/2017 13:51	Tao Jiang	Bluemoon rare event method with langevin thermostat. Beta version
28	06/04/2017 14:57	Tao Jiang	a script that calculates the angles between water dipole and surface normal vector
26	10/03/2017 13:33	Tao Jiang	Blue moon rare event ensamble with langevin thermostat for ASE
25	10/03/2017 13:31	Tao Jiang	directory for molecular dynamics

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