Commit 645f56cf authored by sjplimp's avatar sjplimp Committed by GitHub
Browse files

Merge pull request #436 from Pakketeretet2/better_incorrect_input_handling_nh 

Changed the check on initial and final temperature to <= 0 for both.
parents 80e5111d ee55a981

src/fix_nh.cpp

+1 −1
Original line number Diff line number Diff line
@@ -133,7 +133,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : 
      t_target = t_start;

      t_stop = force->numeric(FLERR,arg[iarg+2]);

      t_period = force->numeric(FLERR,arg[iarg+3]);

      if (t_start < 0.0 || t_stop <= 0.0)

      if (t_start <= 0.0 || t_stop <= 0.0)

        error->all(FLERR,

                   "Target temperature for fix nvt/npt/nph cannot be 0.0");

      iarg += 4;

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