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whitespace fixes

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This commit is contained in:
Axel Kohlmeyer
2020-11-23 22:24:00 -05:00
committed by Richard Berger
parent 7f6638b681
commit f0e4f9932f
9 changed files with 24 additions and 24 deletions
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16
src/compute_centroid_stress_atom.cpp
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@ -126,11 +126,11 @@ void ComputeCentroidStressAtom::init()
// check if force components and fixes support centroid atom stress
// all bond styles support it as CENTROID_SAME
if (pairflag && force->pair)
if (force->pair->centroidstressflag == CENTROID_NOTAVAIL)
error->all(FLERR, "Pair style does not support compute centroid/stress/atom");
if (angleflag && force->angle)
if (force->angle->centroidstressflag == CENTROID_NOTAVAIL)
error->all(FLERR, "Angle style does not support compute centroid/stress/atom");
@ -150,8 +150,8 @@ void ComputeCentroidStressAtom::init()
if (fixflag) {
for (int ifix = 0; ifix < modify->nfix; ifix++)
if (modify->fix[ifix]->virial_flag &&
modify->fix[ifix]->centroidstressflag == CENTROID_NOTAVAIL)
error->all(FLERR, "Fix style does not support compute centroid/stress/atom");
modify->fix[ifix]->centroidstressflag == CENTROID_NOTAVAIL)
error->all(FLERR, "Fix style does not support compute centroid/stress/atom");
}
}
@ -199,9 +199,9 @@ void ComputeCentroidStressAtom::compute_peratom()
stress[i][j] = 0.0;
// add in per-atom contributions from all force components and fixes
// pair styles are either CENTROID_SAME or CENTROID_AVAIL or CENTROID_NOTAVAIL
if (pairflag && force->pair && force->pair->compute_flag) {
if (force->pair->centroidstressflag == CENTROID_AVAIL) {
double **cvatom = force->pair->cvatom;
@ -223,7 +223,7 @@ void ComputeCentroidStressAtom::compute_peratom()
// bond styles are all CENTROID_SAME
// angle, dihedral, improper styles are CENTROID_AVAIL or CENTROID_NOTAVAIL
// KSpace styles are all CENTROID_NOTAVAIL, placeholder CENTROID_SAME below
if (bondflag && force->bond) {
double **vatom = force->bond->vatom;
for (i = 0; i < nbond; i++) {
@ -271,7 +271,7 @@ void ComputeCentroidStressAtom::compute_peratom()
// e.g. fix ave/spatial defined before fix shake,
// and fix ave/spatial uses a per-atom stress from this compute as input
// fix styles are CENTROID_SAME or CENTROID_NOTAVAIL
if (fixflag) {
for (int ifix = 0; ifix < modify->nfix; ifix++)
if (modify->fix[ifix]->virial_flag) {