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Allow compute_coord_atom to use Kokkos orientorder

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Stan Moore 2020-04-30 12:37:05 -06:00
parent 23c5384b47
commit 14322a9907
1 changed files with 2 additions and 1 deletions
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3
src/compute_coord_atom.cpp
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@ -27,6 +27,7 @@
#include "group.h" #include "group.h"
#include "memory.h" #include "memory.h"
#include "error.h" #include "error.h"
#include "utils.h"
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
@ -93,7 +94,7 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
int iorientorder = modify->find_compute(id_orientorder); int iorientorder = modify->find_compute(id_orientorder);
if (iorientorder < 0) if (iorientorder < 0)
error->all(FLERR,"Could not find compute coord/atom compute ID"); error->all(FLERR,"Could not find compute coord/atom compute ID");
if (strcmp(modify->compute[iorientorder]->style,"orientorder/atom") != 0) if (!utils::strmatch(modify->compute[iorientorder]->style,"^orientorder/atom"))
error->all(FLERR,"Compute coord/atom compute ID is not orientorder/atom"); error->all(FLERR,"Compute coord/atom compute ID is not orientorder/atom");
threshold = force->numeric(FLERR,arg[5]); threshold = force->numeric(FLERR,arg[5]);