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Merge branch 'collected-small-changes' into refactor-reaxff-parser

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This commit is contained in:
Axel Kohlmeyer
2021-07-22 16:46:07 -04:00
parent fbf3bcae70 74c306b32b
commit d0a654097f
4 changed files with 39 additions and 11 deletions
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2
src/GRANULAR/fix_wall_gran.cpp
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@ -1193,7 +1193,7 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz,
knfac = E; //Hooke
a = sqrt(dR);
Fne = knfac*delta;
if (normal_model != HOOKE) {
if (normal_model != NORMAL_HOOKE) {
Fne *= a;
knfac *= a;
}

11
src/create_atoms.cpp
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@ -596,10 +596,13 @@ void CreateAtoms::command(int narg, char **arg)
// print status
MPI_Barrier(world);
if (me == 0)
utils::logmesg(lmp,"Created {} atoms\n"
" create_atoms CPU = {:.3f} seconds\n",
atom->natoms - natoms_previous, MPI_Wtime() - time1);
if (me == 0) {
utils::logmesg(lmp,"Created {} atoms\n", atom->natoms - natoms_previous);
if (scaleflag) domain->print_box(" using lattice units in ");
else domain->print_box(" using box units in ");
utils::logmesg(lmp," create_atoms CPU = {:.3f} seconds\n",
MPI_Wtime() - time1);
}
}
/* ----------------------------------------------------------------------