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pairwise -> two-body for clarity in appropriate comments

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This commit is contained in:
Donatas Surblys
2019-11-13 19:48:52 +09:00
parent b80e5d3d11
commit e44c394680
3 changed files with 6 additions and 6 deletions
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6
src/USER-OMP/thr_omp.cpp
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@ -75,7 +75,7 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom,
if (nall > 0)
memset(&(thr->eatom_pair[0]),0,nall*sizeof(double));
}
// per-atom virial and per-atom centroid virial are the same for pairwise
// per-atom virial and per-atom centroid virial are the same for two-body
// many-body pair styles not yet implemented
if (vflag & 12) {
thr->vatom_pair = vatom + tid*nall;
@ -238,7 +238,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
if (eflag & 2) {
data_reduce_thr(&(pair->eatom[0]), nall, nthreads, 1, tid);
}
// per-atom virial and per-atom centroid virial are the same for pairwise
// per-atom virial and per-atom centroid virial are the same for two-body
// many-body pair styles not yet implemented
if (vflag & 12) {
data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid);
@ -389,7 +389,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
if (vflag & 8) {
data_reduce_thr(&(dihedral->cvatom[0][0]), nall, nthreads, 9, tid);
}
// per-atom virial and per-atom centroid virial are the same for pairwise
// per-atom virial and per-atom centroid virial are the same for two-body
// many-body pair styles not yet implemented
if (vflag & 12) {
data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid);

2
src/compute_centroid_stress_atom.cpp
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@ -175,7 +175,7 @@ void ComputeCentroidStressAtom::compute_peratom()
// add in per-atom contributions from each force
// per-atom virial and per-atom centroid virial are the same for pairwise
// per-atom virial and per-atom centroid virial are the same for two-body
// many-body pair styles not yet implemented
if (pairflag && force->pair) {
if (force->pair->centroidstressflag & 2) {

4
src/pair.h
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@ -67,8 +67,8 @@ class Pair : protected Pointers {
int reinitflag; // 1 if compatible with fix adapt and alike
int centroidstressflag; // compatibility with centroid atomic stress
// 1 if same as pairwise atomic stress
// 2 if implemented and different from pairwise
// 1 if same as two-body atomic stress
// 2 if implemented and different from two-body
// 4 if not compatible/implemented
int tail_flag; // pair_modify flag for LJ tail correction