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fix whitespace

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This commit is contained in:
Axel Kohlmeyer
2021-07-12 16:23:45 -04:00
parent e0ba11fbf0
commit e29577634d
2 changed files with 2 additions and 2 deletions
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2
src/REAXFF/reaxc_valence_angles.cpp
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@ -356,7 +356,7 @@ namespace ReaxFF {
/* tally virial */ /* tally virial */
if (system->pair_ptr->vflag_either) { if (system->pair_ptr->vflag_either) {
/* Acquire vectors */ /* Acquire vectors */
rvec_ScaledSum(delij, 1., system->my_atoms[i].x, -1., system->my_atoms[j].x); rvec_ScaledSum(delij, 1., system->my_atoms[i].x, -1., system->my_atoms[j].x);
rvec_ScaledSum(delkj, 1., system->my_atoms[k].x, -1., system->my_atoms[j].x); rvec_ScaledSum(delkj, 1., system->my_atoms[k].x, -1., system->my_atoms[j].x);

2
src/pair.cpp
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@ -1490,7 +1490,7 @@ void Pair::ev_tally_tip4p(int key, int *list, double *v,
tally virial into global or per-atom accumulators tally virial into global or per-atom accumulators
called by ReaxFF potential, newton_pair is always on called by ReaxFF potential, newton_pair is always on
fi is magnitude of force on atom i, deli is the direction fi is magnitude of force on atom i, deli is the direction
note that the other atom (j) is not updated, due to newton on note that the other atom (j) is not updated, due to newton on
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void Pair::v_tally2_newton(int i, double *fi, double *deli) void Pair::v_tally2_newton(int i, double *fi, double *deli)