ICODE-ADC/lammps
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make more use of convenience functions for adding fixes and computes

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This commit is contained in:
Axel Kohlmeyer
2020-06-28 18:40:48 -04:00
parent df29364be8
commit 3cd1341e64
8 changed files with 40 additions and 98 deletions
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11
src/min.cpp
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@ -113,18 +113,13 @@ Min::~Min()
void Min::init()
{
if (lmp->kokkos && !kokkosable)
error->all(FLERR,"Must use a Kokkos-enabled min style (e.g. min_style cg/kk) "
"with Kokkos minimize");
error->all(FLERR,"Must use a Kokkos-enabled min style "
"(e.g. min_style cg/kk) with Kokkos minimize");
// create fix needed for storing atom-based quantities
// will delete it at end of run
char **fixarg = new char*[3];
fixarg[0] = (char *) "MINIMIZE";
fixarg[1] = (char *) "all";
fixarg[2] = (char *) "MINIMIZE";
modify->add_fix(3,fixarg);
delete [] fixarg;
modify->add_fix("MINIMIZE all MINIMIZE");
fix_minimize = (FixMinimize *) modify->fix[modify->nfix-1];
// clear out extra global and per-atom dof