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make fix gcmc and fix widom compatible with USER-INTEL

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this fixes #2672
This commit is contained in:
Axel Kohlmeyer
2021-03-19 10:04:28 -04:00
parent a5563e8d04
commit 2e7e5aeac4
2 changed files with 4 additions and 0 deletions
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2
src/MC/fix_gcmc.cpp
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@ -2330,7 +2330,9 @@ double FixGCMC::energy_full()
// unlike Verlet, not performing a reverse_comm() or forces here
// b/c GCMC does not care about forces
// don't think it will mess up energy due to any post_force() fixes
// but Modify::pre_reverse() is needed for USER-INTEL
if (modify->n_pre_reverse) modify->pre_reverse(eflag,vflag);
if (modify->n_post_force) modify->post_force(vflag);
if (modify->n_end_of_step) modify->end_of_step();

2
src/MC/fix_widom.cpp
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@ -1057,7 +1057,9 @@ double FixWidom::energy_full()
// unlike Verlet, not performing a reverse_comm() or forces here
// b/c Widom does not care about forces
// don't think it will mess up energy due to any post_force() fixes
// but Modify::pre_reverse() is needed for USER-INTEL
if (modify->n_pre_reverse) modify->pre_reverse(eflag,vflag);
if (modify->n_pre_force) modify->pre_force(vflag);
if (modify->n_end_of_step) modify->end_of_step();