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pimdb works only in method pimd

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This commit is contained in:
yotamfe
2023-11-20 17:39:38 +02:00
parent f4a133c47a
commit a80406347c
1 changed files with 2 additions and 5 deletions
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7
src/REPLICA/fix_pimdb_langevin.cpp
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@ -50,11 +50,8 @@ FixPIMDBLangevin::FixPIMDBLangevin(LAMMPS *lmp, int narg, char **arg) :
bosonic_exchange(lmp, atom->nlocal, np, universe->me, bosonic_exchange(lmp, atom->nlocal, np, universe->me,
false) false)
{ {
if (method != PIMD) {
// TODO: update, ensure consistency with PIMDB error->universe_all(FLERR, "Method not supported in fix pimdb/langevin; only method PIMD");
if (method == CMD) {
error->universe_all(FLERR, "Method cmd not supported in fix pimdb");
} }
nbosons = atom->nlocal; nbosons = atom->nlocal;