pimdb works only in method pimd

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

  nbosons    = atom->nlocal;