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cleanup and bugfix for compute heat/flux/tally

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 13 2017, 03:46.

Description

cleanup and bugfix for compute heat/flux/tally

  • make heatj a pointer instead of a static array
  • fix memory leaks for eatom, stress
  • simplify and streamline computation

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Jun 13 2017, 03:46
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPS420db4459656: print incompatible pair style warnings in USER-TALLY only on MPI rank 0
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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSe530ba46f410: cleanup and bugfix for compute heat/flux/tally (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 13 2017, 03:46