whitespace fixes
This commit is contained in:
committed by
Richard Berger
parent
7f6638b681
commit
f0e4f9932f
@ -172,7 +172,7 @@ the default case, verbose == false, the test output will be compact and
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not mixed with LAMMPS output. However setting the verbose flag (via
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not mixed with LAMMPS output. However setting the verbose flag (via
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setting the TEST_ARGS environment variable, ``TEST_ARGS=-v``) can be
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setting the TEST_ARGS environment variable, ``TEST_ARGS=-v``) can be
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helpful to understand why tests fail unexpectedly.
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helpful to understand why tests fail unexpectedly.
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Another complexity of these tests stems from the need to capture
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Another complexity of these tests stems from the need to capture
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situations where LAMMPS will stop with an error, i.e. handle so-called
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situations where LAMMPS will stop with an error, i.e. handle so-called
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"death tests". Here the LAMMPS code will operate differently depending
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"death tests". Here the LAMMPS code will operate differently depending
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@ -637,7 +637,7 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
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if (KIM_SupportStatus_NotEqual(kim_model_support_for_forces,
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if (KIM_SupportStatus_NotEqual(kim_model_support_for_forces,
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KIM_SUPPORT_STATUS_notSupported) &&
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KIM_SUPPORT_STATUS_notSupported) &&
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(KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
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(KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
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KIM_SUPPORT_STATUS_notSupported) ||
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KIM_SUPPORT_STATUS_notSupported) ||
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(vflag_atom == 0))) {
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(vflag_atom == 0))) {
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const double *const fp = &(atom->f[0][0]);
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const double *const fp = &(atom->f[0][0]);
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for (int i = first; i < last; i++) {
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for (int i = first; i < last; i++) {
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@ -646,9 +646,9 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
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buf[m++] = fp[3*i+2];
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buf[m++] = fp[3*i+2];
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}
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}
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return m;
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return m;
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}
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}
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// ----------------------------------------------------------------------
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// ----------------------------------------------------------------------
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// see Pair::ev_setup & Integrate::ev_set()
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// see Pair::ev_setup & Integrate::ev_set()
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// for values of eflag (0-3) and vflag (0-14)
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// for values of eflag (0-3) and vflag (0-14)
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// -------------------------------------------------------------------------
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// -------------------------------------------------------------------------
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if ((vflag_atom != 0) &&
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if ((vflag_atom != 0) &&
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@ -671,7 +671,7 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
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buf[m++] = va[6*i+5];
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buf[m++] = va[6*i+5];
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}
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}
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return m;
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return m;
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}
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}
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if ((vflag_atom != 0) &&
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if ((vflag_atom != 0) &&
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KIM_SupportStatus_Equal(kim_model_support_for_forces,
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KIM_SupportStatus_Equal(kim_model_support_for_forces,
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KIM_SUPPORT_STATUS_notSupported) &&
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KIM_SUPPORT_STATUS_notSupported) &&
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@ -687,7 +687,7 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
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buf[m++] = va[6*i+5];
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buf[m++] = va[6*i+5];
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}
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}
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return m;
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return m;
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}
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}
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return 0;
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return 0;
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}
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}
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@ -731,7 +731,7 @@ void PairKIM::unpack_reverse_comm(int n, int *list, double *buf)
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va[j*6+5]+=buf[m++];
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va[j*6+5]+=buf[m++];
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}
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}
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return;
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return;
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}
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}
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if ((vflag_atom != 0) &&
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if ((vflag_atom != 0) &&
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KIM_SupportStatus_Equal(kim_model_support_for_forces,
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KIM_SupportStatus_Equal(kim_model_support_for_forces,
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KIM_SUPPORT_STATUS_notSupported) &&
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KIM_SUPPORT_STATUS_notSupported) &&
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@ -46,7 +46,7 @@ PairNb3bHarmonic::PairNb3bHarmonic(LAMMPS *lmp) : Pair(lmp)
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single_enable = 0;
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single_enable = 0;
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restartinfo = 0;
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restartinfo = 0;
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one_coeff = 1;
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one_coeff = 1;
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manybody_flag = 1;
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manybody_flag = 1;
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centroidstressflag = CENTROID_NOTAVAIL;
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centroidstressflag = CENTROID_NOTAVAIL;
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unit_convert_flag = utils::get_supported_conversions(utils::ENERGY);
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unit_convert_flag = utils::get_supported_conversions(utils::ENERGY);
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@ -126,11 +126,11 @@ void ComputeCentroidStressAtom::init()
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// check if force components and fixes support centroid atom stress
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// check if force components and fixes support centroid atom stress
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// all bond styles support it as CENTROID_SAME
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// all bond styles support it as CENTROID_SAME
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if (pairflag && force->pair)
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if (pairflag && force->pair)
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if (force->pair->centroidstressflag == CENTROID_NOTAVAIL)
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if (force->pair->centroidstressflag == CENTROID_NOTAVAIL)
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error->all(FLERR, "Pair style does not support compute centroid/stress/atom");
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error->all(FLERR, "Pair style does not support compute centroid/stress/atom");
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if (angleflag && force->angle)
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if (angleflag && force->angle)
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if (force->angle->centroidstressflag == CENTROID_NOTAVAIL)
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if (force->angle->centroidstressflag == CENTROID_NOTAVAIL)
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error->all(FLERR, "Angle style does not support compute centroid/stress/atom");
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error->all(FLERR, "Angle style does not support compute centroid/stress/atom");
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@ -150,8 +150,8 @@ void ComputeCentroidStressAtom::init()
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if (fixflag) {
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if (fixflag) {
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for (int ifix = 0; ifix < modify->nfix; ifix++)
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for (int ifix = 0; ifix < modify->nfix; ifix++)
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if (modify->fix[ifix]->virial_flag &&
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if (modify->fix[ifix]->virial_flag &&
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modify->fix[ifix]->centroidstressflag == CENTROID_NOTAVAIL)
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modify->fix[ifix]->centroidstressflag == CENTROID_NOTAVAIL)
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error->all(FLERR, "Fix style does not support compute centroid/stress/atom");
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error->all(FLERR, "Fix style does not support compute centroid/stress/atom");
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}
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}
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}
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}
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@ -199,9 +199,9 @@ void ComputeCentroidStressAtom::compute_peratom()
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stress[i][j] = 0.0;
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stress[i][j] = 0.0;
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// add in per-atom contributions from all force components and fixes
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// add in per-atom contributions from all force components and fixes
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// pair styles are either CENTROID_SAME or CENTROID_AVAIL or CENTROID_NOTAVAIL
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// pair styles are either CENTROID_SAME or CENTROID_AVAIL or CENTROID_NOTAVAIL
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if (pairflag && force->pair && force->pair->compute_flag) {
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if (pairflag && force->pair && force->pair->compute_flag) {
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if (force->pair->centroidstressflag == CENTROID_AVAIL) {
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if (force->pair->centroidstressflag == CENTROID_AVAIL) {
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double **cvatom = force->pair->cvatom;
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double **cvatom = force->pair->cvatom;
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@ -223,7 +223,7 @@ void ComputeCentroidStressAtom::compute_peratom()
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// bond styles are all CENTROID_SAME
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// bond styles are all CENTROID_SAME
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// angle, dihedral, improper styles are CENTROID_AVAIL or CENTROID_NOTAVAIL
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// angle, dihedral, improper styles are CENTROID_AVAIL or CENTROID_NOTAVAIL
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// KSpace styles are all CENTROID_NOTAVAIL, placeholder CENTROID_SAME below
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// KSpace styles are all CENTROID_NOTAVAIL, placeholder CENTROID_SAME below
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if (bondflag && force->bond) {
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if (bondflag && force->bond) {
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double **vatom = force->bond->vatom;
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double **vatom = force->bond->vatom;
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for (i = 0; i < nbond; i++) {
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for (i = 0; i < nbond; i++) {
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@ -271,7 +271,7 @@ void ComputeCentroidStressAtom::compute_peratom()
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// e.g. fix ave/spatial defined before fix shake,
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// e.g. fix ave/spatial defined before fix shake,
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// and fix ave/spatial uses a per-atom stress from this compute as input
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// and fix ave/spatial uses a per-atom stress from this compute as input
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// fix styles are CENTROID_SAME or CENTROID_NOTAVAIL
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// fix styles are CENTROID_SAME or CENTROID_NOTAVAIL
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if (fixflag) {
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if (fixflag) {
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for (int ifix = 0; ifix < modify->nfix; ifix++)
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for (int ifix = 0; ifix < modify->nfix; ifix++)
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if (modify->fix[ifix]->virial_flag) {
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if (modify->fix[ifix]->virial_flag) {
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@ -105,7 +105,7 @@ Fix::Fix(LAMMPS *lmp, int /*narg*/, char **arg) :
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maxeatom = maxvatom = 0;
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maxeatom = maxvatom = 0;
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vflag_atom = 0;
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vflag_atom = 0;
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centroidstressflag = CENTROID_SAME;
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centroidstressflag = CENTROID_SAME;
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// KOKKOS per-fix data masks
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// KOKKOS per-fix data masks
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execution_space = Host;
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execution_space = Host;
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@ -41,7 +41,7 @@ FixNeighHistory::FixNeighHistory(LAMMPS *lmp, int narg, char **arg) :
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restart_peratom = 1;
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restart_peratom = 1;
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restart_global = 1;
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restart_global = 1;
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create_attribute = 1;
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create_attribute = 1;
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maxexchange_dynamic = 1;
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maxexchange_dynamic = 1;
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@ -855,7 +855,7 @@ void FixNeighHistory::write_restart(FILE *fp)
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if (comm->me == 0) {
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if (comm->me == 0) {
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int size = 0;
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int size = 0;
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fwrite(&size,sizeof(int),1,fp);
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fwrite(&size,sizeof(int),1,fp);
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}
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}
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}
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}
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@ -53,7 +53,7 @@ class FixNeighHistory : public Fix {
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void unpack_reverse_comm(int, int *, double *);
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void unpack_reverse_comm(int, int *, double *);
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int pack_exchange(int, double *);
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int pack_exchange(int, double *);
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int unpack_exchange(int, double *);
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int unpack_exchange(int, double *);
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void write_restart(FILE *);
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void write_restart(FILE *);
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int pack_restart(int, double *);
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int pack_restart(int, double *);
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void unpack_restart(int, int);
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void unpack_restart(int, int);
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int size_restart(int);
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int size_restart(int);
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@ -89,7 +89,7 @@ KSpace::KSpace(LAMMPS *lmp) : Pointers(lmp)
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eatom = nullptr;
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eatom = nullptr;
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vatom = nullptr;
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vatom = nullptr;
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centroidstressflag = CENTROID_NOTAVAIL;
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centroidstressflag = CENTROID_NOTAVAIL;
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execution_space = Host;
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execution_space = Host;
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datamask_read = ALL_MASK;
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datamask_read = ALL_MASK;
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datamask_modify = ALL_MASK;
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datamask_modify = ALL_MASK;
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@ -163,7 +163,7 @@ void PairHybrid::compute(int eflag, int vflag)
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}
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}
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// substyles may be CENTROID_SAME or CENTROID_AVAIL
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// substyles may be CENTROID_SAME or CENTROID_AVAIL
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if (cvflag_atom) {
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if (cvflag_atom) {
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n = atom->nlocal;
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n = atom->nlocal;
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if (force->newton_pair) n += atom->nghost;
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if (force->newton_pair) n += atom->nghost;
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@ -385,7 +385,7 @@ void PairHybrid::flags()
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compute_flag = 0;
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compute_flag = 0;
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respa_enable = 0;
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respa_enable = 0;
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restartinfo = 0;
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restartinfo = 0;
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for (m = 0; m < nstyles; m++) {
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for (m = 0; m < nstyles; m++) {
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if (styles[m]->single_enable) ++single_enable;
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if (styles[m]->single_enable) ++single_enable;
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if (styles[m]->respa_enable) ++respa_enable;
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if (styles[m]->respa_enable) ++respa_enable;
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@ -418,7 +418,7 @@ void PairHybrid::flags()
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if (styles[m]->centroidstressflag == CENTROID_NOTAVAIL)
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if (styles[m]->centroidstressflag == CENTROID_NOTAVAIL)
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centroidstressflag = CENTROID_NOTAVAIL;
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centroidstressflag = CENTROID_NOTAVAIL;
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if (centroidstressflag == CENTROID_SAME &&
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if (centroidstressflag == CENTROID_SAME &&
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styles[m]->centroidstressflag == CENTROID_AVAIL)
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styles[m]->centroidstressflag == CENTROID_AVAIL)
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centroidstressflag = CENTROID_AVAIL;
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centroidstressflag = CENTROID_AVAIL;
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}
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}
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}
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}
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