Commit a3c0fe77 authored by Gareth Tribello's avatar Gareth Tribello
Browse files

Added check on fix modify for PLUMED to ensures that virial is calculated for group all

parent a051d61e

src/USER-PLUMED/fix_plumed.cpp

+2 −0
Original line number Diff line number Diff line
@@ -489,6 +489,8 @@ int FixPlumed::modify_param(int narg, char **arg) 


    if (c_press->pressflag == 0)

      error->all(FLERR,"Fix_modify pressure ID does not compute pressure");

    if (c_press->igroup != 0 && comm->me == 0)

      error->warning(FLERR,"Virial for fix PLUMED is not for group all");



    return 2;

  }

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