CP2K Open Source Molecular Dynamics

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exercises:2016_uzh_cmest:first_simulation_run

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exercises:2016_uzh_cmest:first_simulation_run [2016/09/22 14:43] – [Computation of the Lennard Jones curve] tmuellerexercises:2016_uzh_cmest:first_simulation_run [2016/09/23 08:15] – [Part I: Single Point (Energy) calculation] tmueller
Line 103: Line 103:
   **** **  *******  **  PROGRAM STARTED IN          /data/students/studentXX/ex1   **** **  *******  **  PROGRAM STARTED IN          /data/students/studentXX/ex1
 [...] [...]
-  ENERGY| Total FORCE_EVAL ( FIST ) energy (a.u.):           0.003617048870059+  ENERGY| Total FORCE_EVAL ( FIST ) energy (a.u.):          -0.000518941408898
 [...] [...]
  
exercises/2016_uzh_cmest/first_simulation_run.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1