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This commit is contained in:
Steve Plimpton
2022-04-21 15:19:04 -06:00
parent 8cb47c8504
commit 0ece11c491
1 changed files with 5 additions and 3 deletions
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8
src/fix_group.cpp
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@ -181,9 +181,11 @@ void FixGroup::set_group()
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
// invoke atom-style variable if defined // invoke atom-style variable if defined
// this is for any compute to check if it needs to // NOTE: after variable invocation could reset invoked computes to not-invoked
// operate differently due to invocation this early in timestep // this would avoid an issue where other post-force fixes
// e.g. perform ghost comm update due to atoms having just moved // change the compute result since it will not be re-invoked at end-of-step,
// e.g. if compute pe/atom includes pe contributions from fixes
double *var = nullptr; double *var = nullptr;
int *ivector = nullptr; int *ivector = nullptr;