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chimie4psmn / md

Name Size Revision Age Author Comment
bm.py 10.5 kB 29 over 3 years Tao Jiang Bluemoon rare event method with langevin thermo...
init.xyz 4.4 kB 30 over 3 years Tao Jiang Initial structure for testing bm.py
langevin_bluemoon.py 5.7 kB 26 over 3 years Tao Jiang Blue moon rare event ensamble with langevin the...
water_dipole.py 3.7 kB 28 over 3 years Tao Jiang a script that calculates the angles between wat...

Latest revisions

# Date Author Comment
30 04/27/2017 01:52 pm Tao Jiang

Initial structure for testing bm.py

29 04/27/2017 01:51 pm Tao Jiang

Bluemoon rare event method with langevin thermostat. Beta version

28 04/06/2017 02:57 pm Tao Jiang

a script that calculates the angles between water dipole and surface normal vector

26 03/10/2017 01:33 pm Tao Jiang

Blue moon rare event ensamble with langevin thermostat for ASE

25 03/10/2017 01:31 pm Tao Jiang

directory for molecular dynamics

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