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Added Kokkos-enabled version of compute temp/deform.

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This commit is contained in:
Emily Kahl
2021-07-29 09:53:08 +10:00
parent e400e5b6f7
commit e7ba4179a7
4 changed files with 430 additions and 14 deletions
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9
src/compute_temp_deform.cpp
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@ -56,8 +56,11 @@ ComputeTempDeform::ComputeTempDeform(LAMMPS *lmp, int narg, char **arg) :
ComputeTempDeform::~ComputeTempDeform()
{
memory->destroy(vbiasall);
delete [] vector;
if (!copymode)
{
memory->destroy(vbiasall);
delete [] vector;
}
}
/* ---------------------------------------------------------------------- */
@ -69,7 +72,7 @@ void ComputeTempDeform::init()
// check fix deform remap settings
for (i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"deform") == 0) {
if (strncmp(modify->fix[i]->style,"deform", 6) == 0) {
if (((FixDeform *) modify->fix[i])->remapflag == Domain::X_REMAP &&
comm->me == 0)
error->warning(FLERR,"Using compute temp/deform with inconsistent "