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Merge branch 'master' into symbolic-atom-constants

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This commit is contained in:
Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
parent 618b08dcfc cebf6d33ba
commit 0f6a34775c
1186 changed files with 8448 additions and 8360 deletions
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16
src/fix_property_atom.cpp
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@ -30,7 +30,7 @@ enum{MOLECULE,CHARGE,RMASS,INTEGER,DOUBLE};
FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
nvalue(0), style(NULL), index(NULL), astyle(NULL)
nvalue(0), style(nullptr), index(nullptr), astyle(nullptr)
{
if (narg < 4) error->all(FLERR,"Illegal fix property/atom command");
@ -152,21 +152,21 @@ FixPropertyAtom::~FixPropertyAtom()
if (border) atom->delete_callback(id,Atom::BORDER);
// deallocate per-atom vectors in Atom class
// set ptrs to NULL, so they no longer exist for Atom class
// set ptrs to a null pointer, so they no longer exist for Atom class
for (int m = 0; m < nvalue; m++) {
if (style[m] == MOLECULE) {
atom->molecule_flag = 0;
memory->destroy(atom->molecule);
atom->molecule = NULL;
atom->molecule = nullptr;
} else if (style[m] == CHARGE) {
atom->q_flag = 0;
memory->destroy(atom->q);
atom->q = NULL;
atom->q = nullptr;
} else if (style[m] == RMASS) {
atom->rmass_flag = 0;
memory->destroy(atom->rmass);
atom->rmass = NULL;
atom->rmass = nullptr;
} else if (style[m] == INTEGER) {
atom->remove_custom(0,index[m]);
} else if (style[m] == DOUBLE) {
@ -237,13 +237,13 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf,
next = strchr(buf,'\n');
values[0] = strtok(buf," \t\n\r\f");
if (values[0] == NULL)
if (values[0] == nullptr)
error->all(FLERR,fmt::format("Too few lines in {} section of data file",keyword));
int format_ok = 1;
for (j = 1; j < nwords; j++) {
values[j] = strtok(NULL," \t\n\r\f");
if (values[j] == NULL) format_ok = 0;
values[j] = strtok(nullptr," \t\n\r\f");
if (values[j] == nullptr) format_ok = 0;
}
if (!format_ok)
error->all(FLERR,fmt::format("Incorrect {} format in data file",keyword));