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fix minor issues

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This commit is contained in:
Axel Kohlmeyer
2025-01-16 21:22:41 -05:00
parent fa54fd1097
commit 1636a11054
2 changed files with 4 additions and 3 deletions
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6
src/BROWNIAN/fix_brownian_base.cpp
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@ -59,7 +59,7 @@ FixBrownianBase::FixBrownianBase(LAMMPS *lmp, int narg, char **arg) :
int iarg = 5; int iarg = 5;
while (iarg < narg) { while (iarg < narg) {
if (strcmp(arg[iarg], "rng") == 0) { if (strcmp(arg[iarg], "rng") == 0) {
if (narg == iarg + 1) utils::missing_cmd_args(FLERR, "fix brownian rng", error); if (narg < iarg + 1) utils::missing_cmd_args(FLERR, "fix brownian rng", error);
if (strcmp(arg[iarg + 1], "uniform") == 0) { if (strcmp(arg[iarg + 1], "uniform") == 0) {
noise_flag = 1; noise_flag = 1;
} else if (strcmp(arg[iarg + 1], "gaussian") == 0) { } else if (strcmp(arg[iarg + 1], "gaussian") == 0) {
@ -72,7 +72,7 @@ FixBrownianBase::FixBrownianBase(LAMMPS *lmp, int narg, char **arg) :
} }
iarg = iarg + 2; iarg = iarg + 2;
} else if (strcmp(arg[iarg], "dipole") == 0) { } else if (strcmp(arg[iarg], "dipole") == 0) {
if (narg == iarg + 3) utils::missing_cmd_args(FLERR, "fix brownian dipole", error); if (narg < iarg + 3) utils::missing_cmd_args(FLERR, "fix brownian dipole", error);
dipole_flag = 1; dipole_flag = 1;
delete[] dipole_body; delete[] dipole_body;
@ -84,7 +84,7 @@ FixBrownianBase::FixBrownianBase(LAMMPS *lmp, int narg, char **arg) :
iarg = iarg + 4; iarg = iarg + 4;
} else if (strcmp(arg[iarg], "gamma_t_eigen") == 0) { } else if (strcmp(arg[iarg], "gamma_t_eigen") == 0) {
if (narg == iarg + 3) utils::missing_cmd_args(FLERR, "fix brownian gamma_t_eigen", error); if (narg < iarg + 3) utils::missing_cmd_args(FLERR, "fix brownian gamma_t_eigen", error);
gamma_t_eigen_flag = 1; gamma_t_eigen_flag = 1;
delete[] gamma_t_inv; delete[] gamma_t_inv;

1
src/REAXFF/fix_reaxff_species.cpp
View File

@ -204,6 +204,7 @@ FixReaxFFSpecies::FixReaxFFSpecies(LAMMPS *lmp, int narg, char **arg) :
delete[] filedel; delete[] filedel;
filedel = utils::strdup(arg[iarg + 1]); filedel = utils::strdup(arg[iarg + 1]);
if (comm->me == 0) { if (comm->me == 0) {
if (fdel) fclose(fdel);
fdel = fopen(filedel, "w"); fdel = fopen(filedel, "w");
if (!fdel) if (!fdel)
error->one(FLERR, "Cannot open fix reaxff/species delete file {}: {}", filedel, error->one(FLERR, "Cannot open fix reaxff/species delete file {}: {}", filedel,