ICODE-ADC/lammps
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Merge branch 'develop' into gran-temp

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This commit is contained in:
jtclemm
2023-01-10 09:58:50 -07:00
parent 531912a3c8 b3396f109b
commit f175a15627
1738 changed files with 304144 additions and 98116 deletions
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4
src/dump_custom.cpp
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@ -1162,6 +1162,7 @@ int DumpCustom::count()
void DumpCustom::pack(tagint *ids)
{
for (int n = 0; n < size_one; n++) (this->*pack_choice[n])(n);
if (ids) {
tagint *tag = atom->tag;
for (int i = 0; i < nchoose; i++)
@ -1256,11 +1257,14 @@ int DumpCustom::parse_fields(int narg, char **arg)
{
// customize by adding to if statement
has_id = 0;
for (int iarg = 0; iarg < narg; iarg++) {
if (strcmp(arg[iarg],"id") == 0) {
pack_choice[iarg] = &DumpCustom::pack_id;
if (sizeof(tagint) == sizeof(smallint)) vtype[iarg] = Dump::INT;
else vtype[iarg] = Dump::BIGINT;
has_id = 1;
} else if (strcmp(arg[iarg],"mol") == 0) {
if (!atom->molecule_flag)
error->all(FLERR,"Dumping an atom property that isn't allocated");