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strip style suffixes when writing restart files if suffixes are enabled

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This commit is contained in:
Axel Kohlmeyer
2022-11-24 11:51:58 -05:00
parent 4adf3708d4
commit 3ce79f8da3
4 changed files with 17 additions and 16 deletions
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20
src/write_restart.cpp
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@ -449,7 +449,7 @@ void WriteRestart::header()
// write atom_style and its args
write_string(ATOM_STYLE,atom->atom_style);
write_string(ATOM_STYLE,utils::strip_style_suffix(atom->atom_style,lmp));
fwrite(&atom->avec->nargcopy,sizeof(int),1,fp);
for (int i = 0; i < atom->avec->nargcopy; i++) {
int n = strlen(atom->avec->argcopy[i]) + 1;
@ -542,26 +542,26 @@ void WriteRestart::force_fields()
{
if (force->pair) {
if (force->pair->restartinfo) {
write_string(PAIR,force->pair_style);
write_string(PAIR,utils::strip_style_suffix(force->pair_style,lmp));
force->pair->write_restart(fp);
} else {
write_string(NO_PAIR,force->pair_style);
write_string(NO_PAIR,utils::strip_style_suffix(force->pair_style,lmp));
}
}
if (atom->avec->bonds_allow && force->bond) {
write_string(BOND,force->bond_style);
write_string(BOND,utils::strip_style_suffix(force->bond_style,lmp));
force->bond->write_restart(fp);
}
if (atom->avec->angles_allow && force->angle) {
write_string(ANGLE,force->angle_style);
write_string(ANGLE,utils::strip_style_suffix(force->angle_style,lmp));
force->angle->write_restart(fp);
}
if (atom->avec->dihedrals_allow && force->dihedral) {
write_string(DIHEDRAL,force->dihedral_style);
write_string(DIHEDRAL,utils::strip_style_suffix(force->dihedral_style,lmp));
force->dihedral->write_restart(fp);
}
if (atom->avec->impropers_allow && force->improper) {
write_string(IMPROPER,force->improper_style);
write_string(IMPROPER,utils::strip_style_suffix(force->improper_style,lmp));
force->improper->write_restart(fp);
}
@ -672,12 +672,12 @@ void WriteRestart::write_double(int flag, double value)
byte) into the restart file
------------------------------------------------------------------------- */
void WriteRestart::write_string(int flag, const char *value)
void WriteRestart::write_string(int flag, const std::string &value)
{
int n = strlen(value) + 1;
int n = value.size() + 1;
fwrite(&flag,sizeof(int),1,fp);
fwrite(&n,sizeof(int),1,fp);
fwrite(value,sizeof(char),n,fp);
fwrite(value.c_str(),sizeof(char),n,fp);
}
/* ----------------------------------------------------------------------