require that box is defined before molecule command is issued

2018-06-15 17:40:14 -04:00
parent 5fcdfe6dcb
commit acd20512f0
1 changed files with 3 additions and 0 deletions
--- a/src/molecule.cpp
+++ b/src/molecule.cpp
@ -52,6 +52,9 @@ Molecule::Molecule(LAMMPS *lmp, int narg, char **arg, int &index) :

  if (index >= narg) error->all(FLERR,"Illegal molecule command");

+  if (domain->box_exist == 0)
+    error->all(FLERR,"Molecule command before simulation box is defined");
+
  int n = strlen(arg[0]) + 1;
  id = new char[n];
  strcpy(id,arg[0]);