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initial import of adapted gREM code by David Stelter and Edyta Malolepsza

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Nov 14 2016, 00:44.

Description

initial import of adapted gREM code by David Stelter and Edyta Malolepsza

The following changes were made:

  • the modifications to compute pressure were transferred to a derived class compute pressure/grem
  • fix scaleforce was renamed to fix grem
  • identifying the grem fix was simplified as fix grem passes an additional argument to compute pressure/grem
  • dead code was removed in both files
  • checking of arguments was tightened

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Nov 14 2016, 00:44
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPS9806da69f3f9: Stan bug fixes for fix reaxc/bonds/kk
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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS20daf82463fd: initial import of adapted gREM code by David Stelter and Edyta Malolepsza (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Nov 14 2016, 00:44