Commit acd20512 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

require that box is defined before molecule command is issued

parent 5fcdfe6d

src/molecule.cpp

+3 −0
Original line number Diff line number Diff line
@@ -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]);

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