diff --git a/src/Makefile.package b/src/Makefile.package index 0c8aa9d850..e6ba0bbcff 100644 --- a/src/Makefile.package +++ b/src/Makefile.package @@ -2,8 +2,8 @@ # this file is auto-edited when those packages are included/excluded PKG_INC = -I../../lib/reax -I../../lib/poems -I../../lib/meam -PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam -PKG_LIB = -lreax -lpoems -lmeam +PKG_PATH = -L../../lib/gpu -L../../lib/reax -L../../lib/poems -L../../lib/meam +PKG_LIB = -lgpu -lreax -lpoems -lmeam -PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) -PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB) +PKG_SYSPATH = $(gpu_SYSPATH) $(reax_SYSPATH) $(meam_SYSPATH) +PKG_SYSLIB = $(gpu_SYSLIB) $(reax_SYSLIB) $(meam_SYSLIB) diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp index a6152d74fa..bf5848ebf2 100644 --- a/src/compute_displace_atom.cpp +++ b/src/compute_displace_atom.cpp @@ -35,18 +35,18 @@ ComputeDisplaceAtom::ComputeDisplaceAtom(LAMMPS *lmp, int narg, char **arg) : peratom_flag = 1; size_peratom_cols = 4; - // create a new fix coord/original style - // id = compute-ID + coord_original, fix group = compute group + // create a new fix store/coord style + // id = compute-ID + store_coord, fix group = compute group - int n = strlen(id) + strlen("_coord_original") + 1; + int n = strlen(id) + strlen("_store_coord") + 1; id_fix = new char[n]; strcpy(id_fix,id); - strcat(id_fix,"_coord_original"); + strcat(id_fix,"_store_coord"); char **newarg = new char*[3]; newarg[0] = id_fix; newarg[1] = group->names[igroup]; - newarg[2] = (char *) "coord/original"; + newarg[2] = (char *) "store/coord"; modify->add_fix(3,newarg); delete [] newarg; diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp index f3bab0445b..c769891c0d 100644 --- a/src/compute_msd.cpp +++ b/src/compute_msd.cpp @@ -49,18 +49,18 @@ ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) : } else error->all("Illegal compute msd command"); } - // create a new fix coord/original style with or without com keyword - // id = compute-ID + coord_original, fix group = compute group + // create a new fix store/coord style with or without com keyword + // id = compute-ID + store_coord, fix group = compute group - int n = strlen(id) + strlen("_coord_original") + 1; + int n = strlen(id) + strlen("_store_coord") + 1; id_fix = new char[n]; strcpy(id_fix,id); - strcat(id_fix,"_coord_original"); + strcat(id_fix,"_store_coord"); char **newarg = new char*[5]; newarg[0] = id_fix; newarg[1] = group->names[igroup]; - newarg[2] = (char *) "coord/original"; + newarg[2] = (char *) "store/coord"; newarg[3] = (char *) "com"; newarg[4] = (char *) "yes"; if (comflag) modify->add_fix(5,newarg);