Changeset d52fb5 for util/config2xyz.sh

Timestamp:
Apr 23, 2008, 3:22:44 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
d3482a
Parents:
77f1ae
Message:

dynamicANOVA script added

script is from himalaya, where it launches in a loop:

  • molecuilder to produce fragment configs
  • pcp on all fragments to produce partial energies and forces
  • joiner to evaluate total energy and forces
  • pcp to do the molecular dynamics integration with the obtained forces
(No files)

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