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create/use a ke compute instead of converting from temperature

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Aug 4 2016, 22:36.

Description

create/use a ke compute instead of converting from temperature

this gives consistent output, since temperature computes remove dofs and then ke is significantly off for systems with small numbers of atoms

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Aug 4 2016, 22:36
Pushed
jungeOct 6 2016, 16:49
Parents
rLAMMPSa19ea3ee5e16: remove unused variable
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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS0f2e7241900b: create/use a ke compute instead of converting from temperature (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Aug 4 2016, 22:36