diff --git a/doc/src/Errors_messages.rst b/doc/src/Errors_messages.rst index f6d313a0eb..aa154b4acf 100644 --- a/doc/src/Errors_messages.rst +++ b/doc/src/Errors_messages.rst @@ -1906,7 +1906,7 @@ Doc page with :doc:`WARNING messages ` *Compute for fix pafi does not calculate a local array* Self-explanatory. -*Compute for fix pafi has < 3*DIM fields per atom* +*Compute for fix pafi must have 9 fields per atom* Self-explanatory. *Compute gyration ID does not exist for compute gyration/shape* diff --git a/src/USER-MISC/fix_pafi.cpp b/src/USER-MISC/fix_pafi.cpp index 6a4f77141f..079659fb7c 100644 --- a/src/USER-MISC/fix_pafi.cpp +++ b/src/USER-MISC/fix_pafi.cpp @@ -88,8 +88,9 @@ FixPAFI::FixPAFI(LAMMPS *lmp, int narg, char **arg) : PathCompute = modify->compute[icompute]; if (PathCompute->peratom_flag==0) error->all(FLERR,"Compute for fix pafi does not calculate a local array"); - if (PathCompute->size_peratom_cols < domain->dimension*3) - error->all(FLERR,"Compute for fix pafi has < DIM fields per atom"); + if (PathCompute->size_peratom_cols < 9) + error->all(FLERR,"Compute for fix pafi must have 9 fields per atom"); +"); if (comm->me==0) { if (screen) fprintf(screen, @@ -199,8 +200,8 @@ void FixPAFI::init() PathCompute = modify->compute[icompute]; if (PathCompute->peratom_flag==0) error->all(FLERR,"Compute for fix pafi does not calculate a local array"); - if (PathCompute->size_peratom_cols < domain->dimension*3) - error->all(FLERR,"Compute for fix pafi has < 3*DIM fields per atom"); + if (PathCompute->size_peratom_cols < 9) + error->all(FLERR,"Compute for fix pafi must have 9 fields per atom");