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change flag name in pair.h: cntratmstressflag -> centroidstressflag

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Donatas Surblys
2019-11-13 18:37:48 +09:00
parent 2d75e6b167
commit 6b94126f67
30 changed files with 37 additions and 37 deletions
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src/compute_centroid_stress_atom.cpp
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@ -126,7 +126,7 @@ void ComputeCentroidStressAtom::init()
// check if pair styles support centroid atom stress
if (pairflag && force->pair)
if (force->pair->cntratmstressflag & 4)
if (force->pair->centroidstressflag & 4)
error->all(FLERR, "Pair style does not support compute centroid/stress/atom");
}
@ -178,7 +178,7 @@ void ComputeCentroidStressAtom::compute_peratom()
// per-atom virial and per-atom centroid virial are the same for pairwise
// many-body pair styles not yet implemented
if (pairflag && force->pair) {
if (force->pair->cntratmstressflag & 2) {
if (force->pair->centroidstressflag & 2) {
double **cvatom = force->pair->cvatom;
for (i = 0; i < npair; i++)
for (j = 0; j < 9; j++)