Loading src/MOLECULE/fix_cmap.cpp +2 −3 Original line number Diff line number Diff line Loading @@ -89,10 +89,9 @@ FixCMAP::FixCMAP(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) memory->create(d2cmapgrid,6,CMAPDIM,CMAPDIM,"cmap:d2grid"); memory->create(d12cmapgrid,6,CMAPDIM,CMAPDIM,"cmap:d12grid"); // read, initialize, broadcast cmapgrid // read and setup CMAP data if (me == 0) read_grid_map(arg[3]); MPI_Bcast(&cmapgrid[0][0][0],6*CMAPDIM*CMAPDIM,MPI_DOUBLE,0,world); read_grid_map(arg[3]); // perform initial allocation of atom-based arrays // register with Atom class Loading Loading
src/MOLECULE/fix_cmap.cpp +2 −3 Original line number Diff line number Diff line Loading @@ -89,10 +89,9 @@ FixCMAP::FixCMAP(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) memory->create(d2cmapgrid,6,CMAPDIM,CMAPDIM,"cmap:d2grid"); memory->create(d12cmapgrid,6,CMAPDIM,CMAPDIM,"cmap:d12grid"); // read, initialize, broadcast cmapgrid // read and setup CMAP data if (me == 0) read_grid_map(arg[3]); MPI_Bcast(&cmapgrid[0][0][0],6*CMAPDIM*CMAPDIM,MPI_DOUBLE,0,world); read_grid_map(arg[3]); // perform initial allocation of atom-based arrays // register with Atom class Loading
