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update .clang-format file from src and update files

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This commit is contained in:
Axel Kohlmeyer
2021-05-11 22:48:06 -04:00
parent 68160e3f22
commit 824dff8181
9 changed files with 34 additions and 70 deletions
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23
examples/plugins/pair_zero2.cpp
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@ -85,8 +85,7 @@ void PairZero2::allocate()
void PairZero2::settings(int narg, char **arg)
{
if ((narg != 1) && (narg != 2))
error->all(FLERR, "Illegal pair_style command");
if ((narg != 1) && (narg != 2)) error->all(FLERR, "Illegal pair_style command");
cut_global = utils::numeric(FLERR, arg[0], false, lmp);
if (narg == 2) {
@ -121,8 +120,7 @@ void PairZero2::coeff(int narg, char **arg)
utils::bounds(FLERR, arg[1], 1, atom->ntypes, jlo, jhi, error);
double cut_one = cut_global;
if (coeffflag && (narg == 3))
cut_one = utils::numeric(FLERR, arg[2], false, lmp);
if (coeffflag && (narg == 3)) cut_one = utils::numeric(FLERR, arg[2], false, lmp);
int count = 0;
for (int i = ilo; i <= ihi; i++) {
@ -176,15 +174,10 @@ void PairZero2::read_restart(FILE *fp)
int me = comm->me;
for (i = 1; i <= atom->ntypes; i++)
for (j = i; j <= atom->ntypes; j++) {
if (me == 0)
utils::sfread(FLERR, &setflag[i][j], sizeof(int), 1, fp, nullptr,
error);
if (me == 0) utils::sfread(FLERR, &setflag[i][j], sizeof(int), 1, fp, nullptr, error);
MPI_Bcast(&setflag[i][j], 1, MPI_INT, 0, world);
if (setflag[i][j]) {
if (me == 0) {
utils::sfread(FLERR, &cut[i][j], sizeof(double), 1, fp, nullptr,
error);
}
if (me == 0) { utils::sfread(FLERR, &cut[i][j], sizeof(double), 1, fp, nullptr, error); }
MPI_Bcast(&cut[i][j], 1, MPI_DOUBLE, 0, world);
}
}
@ -231,15 +224,13 @@ void PairZero2::write_data(FILE *fp)
void PairZero2::write_data_all(FILE *fp)
{
for (int i = 1; i <= atom->ntypes; i++)
for (int j = i; j <= atom->ntypes; j++)
fprintf(fp, "%d %d %g\n", i, j, cut[i][j]);
for (int j = i; j <= atom->ntypes; j++) fprintf(fp, "%d %d %g\n", i, j, cut[i][j]);
}
/* ---------------------------------------------------------------------- */
double PairZero2::single(int /*i*/, int /*j*/, int /* itype */, int /* jtype */,
double /* rsq */, double /*factor_coul*/,
double /* factor_lj */, double &fforce)
double PairZero2::single(int /*i*/, int /*j*/, int /* itype */, int /* jtype */, double /* rsq */,
double /*factor_coul*/, double /* factor_lj */, double &fforce)
{
fforce = 0.0;
return 0.0;