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exercises:2016_summer_school:qmmm

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exercises:2016_summer_school:qmmm [2016/08/25 09:07] mwatkinsexercises:2016_summer_school:qmmm [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 Here is the example file for KCl from the lecture Here is the example file for KCl from the lecture
 +
 +A full tar ball is here {{exercises:2016_summer_school:qmmm_island.tar.gz | qmmmm_island.tar.gz}}
  
 <code cp2k input.inp> <code cp2k input.inp>
Line 178: Line 180:
  
 <code cp2k motion.inc> <code cp2k motion.inc>
-&GEO_OPT+&MOTION 
 +  &GEO_OPT
      OPTIMIZER LBFGS      OPTIMIZER LBFGS
   &END   &END
exercises/2016_summer_school/qmmm.1472116045.txt.gz · Last modified: 2020/08/21 10:15 (external edit)