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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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2
doc/src/Developer_unittest.rst
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@ -172,7 +172,7 @@ the default case, verbose == false, the test output will be compact and
not mixed with LAMMPS output. However setting the verbose flag (via
setting the TEST_ARGS environment variable, ``TEST_ARGS=-v``) can be
helpful to understand why tests fail unexpectedly.
Another complexity of these tests stems from the need to capture
situations where LAMMPS will stop with an error, i.e. handle so-called
"death tests". Here the LAMMPS code will operate differently depending

12
src/KIM/pair_kim.cpp
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@ -637,7 +637,7 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
if (KIM_SupportStatus_NotEqual(kim_model_support_for_forces,
KIM_SUPPORT_STATUS_notSupported) &&
(KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
KIM_SUPPORT_STATUS_notSupported) ||
KIM_SUPPORT_STATUS_notSupported) ||
(vflag_atom == 0))) {
const double *const fp = &(atom->f[0][0]);
for (int i = first; i < last; i++) {
@ -646,9 +646,9 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
buf[m++] = fp[3*i+2];
}
return m;
}
}
// ----------------------------------------------------------------------
// see Pair::ev_setup & Integrate::ev_set()
// see Pair::ev_setup & Integrate::ev_set()
// for values of eflag (0-3) and vflag (0-14)
// -------------------------------------------------------------------------
if ((vflag_atom != 0) &&
@ -671,7 +671,7 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
buf[m++] = va[6*i+5];
}
return m;
}
}
if ((vflag_atom != 0) &&
KIM_SupportStatus_Equal(kim_model_support_for_forces,
KIM_SUPPORT_STATUS_notSupported) &&
@ -687,7 +687,7 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
buf[m++] = va[6*i+5];
}
return m;
}
}
return 0;
}
@ -731,7 +731,7 @@ void PairKIM::unpack_reverse_comm(int n, int *list, double *buf)
va[j*6+5]+=buf[m++];
}
return;
}
}
if ((vflag_atom != 0) &&
KIM_SupportStatus_Equal(kim_model_support_for_forces,
KIM_SUPPORT_STATUS_notSupported) &&

2
src/MANYBODY/pair_nb3b_harmonic.cpp
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@ -46,7 +46,7 @@ PairNb3bHarmonic::PairNb3bHarmonic(LAMMPS *lmp) : Pair(lmp)
single_enable = 0;
restartinfo = 0;
one_coeff = 1;
manybody_flag = 1;
manybody_flag = 1;
centroidstressflag = CENTROID_NOTAVAIL;
unit_convert_flag = utils::get_supported_conversions(utils::ENERGY);

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) {

2
src/fix.cpp
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@ -105,7 +105,7 @@ Fix::Fix(LAMMPS *lmp, int /*narg*/, char **arg) :
maxeatom = maxvatom = 0;
vflag_atom = 0;
centroidstressflag = CENTROID_SAME;
// KOKKOS per-fix data masks
execution_space = Host;

4
src/fix_neigh_history.cpp
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@ -41,7 +41,7 @@ FixNeighHistory::FixNeighHistory(LAMMPS *lmp, int narg, char **arg) :
restart_peratom = 1;
restart_global = 1;
create_attribute = 1;
maxexchange_dynamic = 1;
@ -855,7 +855,7 @@ void FixNeighHistory::write_restart(FILE *fp)
if (comm->me == 0) {
int size = 0;
fwrite(&size,sizeof(int),1,fp);
}
}
}

2
src/fix_neigh_history.h
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@ -53,7 +53,7 @@ class FixNeighHistory : public Fix {
void unpack_reverse_comm(int, int *, double *);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
void write_restart(FILE *);
void write_restart(FILE *);
int pack_restart(int, double *);
void unpack_restart(int, int);
int size_restart(int);

2
src/kspace.cpp
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@ -89,7 +89,7 @@ KSpace::KSpace(LAMMPS *lmp) : Pointers(lmp)
eatom = nullptr;
vatom = nullptr;
centroidstressflag = CENTROID_NOTAVAIL;
execution_space = Host;
datamask_read = ALL_MASK;
datamask_modify = ALL_MASK;

6
src/pair_hybrid.cpp
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@ -163,7 +163,7 @@ void PairHybrid::compute(int eflag, int vflag)
}
// substyles may be CENTROID_SAME or CENTROID_AVAIL
if (cvflag_atom) {
n = atom->nlocal;
if (force->newton_pair) n += atom->nghost;
@ -385,7 +385,7 @@ void PairHybrid::flags()
compute_flag = 0;
respa_enable = 0;
restartinfo = 0;
for (m = 0; m < nstyles; m++) {
if (styles[m]->single_enable) ++single_enable;
if (styles[m]->respa_enable) ++respa_enable;
@ -418,7 +418,7 @@ void PairHybrid::flags()
if (styles[m]->centroidstressflag == CENTROID_NOTAVAIL)
centroidstressflag = CENTROID_NOTAVAIL;
if (centroidstressflag == CENTROID_SAME &&
styles[m]->centroidstressflag == CENTROID_AVAIL)
styles[m]->centroidstressflag == CENTROID_AVAIL)
centroidstressflag = CENTROID_AVAIL;
}
}