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Merge remote branch 'lammps-ro/master' into lammps-icms

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Resolved Conflicts:
	doc/package.txt
	src/fix_move.cpp
This commit is contained in:
Axel Kohlmeyer
2014-09-10 14:54:22 +02:00
parent adcd5949c7 f864979cdd
commit d52414244a
16 changed files with 1761 additions and 1371 deletions
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16
src/input.cpp
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@ -1403,10 +1403,13 @@ void Input::package()
error->all(FLERR,"Package command after simulation box is defined");
if (narg < 1) error->all(FLERR,"Illegal package command");
// same checks for packages existing as in LAMMPS::post_create()
// since can be invoked here by package command in input script
if (strcmp(arg[0],"cuda") == 0) {
if (!lmp->cuda)
if (lmp->cuda == NULL || lmp->cuda->cuda_exists == 0)
error->all(FLERR,
"Package cuda command without USER-CUDA package installed");
"Package cuda command without USER-CUDA package enabled");
lmp->cuda->accelerator(narg-1,&arg[1]);
} else if (strcmp(arg[0],"gpu") == 0) {
@ -1420,12 +1423,11 @@ void Input::package()
for (int i = 1; i < narg; i++) fixarg[i+2] = arg[i];
modify->add_fix(2+narg,fixarg);
delete [] fixarg;
force->newton_pair = 0;
} else if (strcmp(arg[0],"kokkos") == 0) {
if (!lmp->kokkos)
if (lmp->kokkos == NULL || lmp->kokkos->kokkos_exists == 0)
error->all(FLERR,
"Package kokkos command without KOKKOS package installed");
"Package kokkos command without KOKKOS package enabled");
lmp->kokkos->accelerator(narg-1,&arg[1]);
} else if (strcmp(arg[0],"omp") == 0) {
@ -1442,14 +1444,14 @@ void Input::package()
delete [] fixarg;
} else if (strcmp(arg[0],"intel") == 0) {
if (!modify->check_package("Intel"))
if (!modify->check_package("INTEL"))
error->all(FLERR,
"Package intel command without USER-INTEL package installed");
char **fixarg = new char*[2+narg];
fixarg[0] = (char *) "package_intel";
fixarg[1] = (char *) "all";
fixarg[2] = (char *) "Intel";
fixarg[2] = (char *) "INTEL";
for (int i = 1; i < narg; i++) fixarg[i+2] = arg[i];
modify->add_fix(2+narg,fixarg);
delete [] fixarg;