ICODE-ADC/lammps
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This commit is contained in:
Jacob Gissinger
2021-12-06 23:08:30 -05:00
parent 14e09b7a75
commit ee9ea4f80f
3 changed files with 10 additions and 10 deletions
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12
src/label_map.cpp
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@ -126,23 +126,23 @@ void LabelMap::merge_lmap(LabelMap *lmap2, int mode)
switch (mode)
{
case Atom::ATOM:
for (auto &it : lmap2->typelabel)
for (auto &it : lmap2->typelabel)
find_or_create(it,typelabel,typelabel_map);
break;
case Atom::BOND:
for (auto &it : lmap2->btypelabel)
for (auto &it : lmap2->btypelabel)
find_or_create(it,btypelabel,btypelabel_map);
break;
case Atom::ANGLE:
for (auto &it : lmap2->atypelabel)
for (auto &it : lmap2->atypelabel)
find_or_create(it,atypelabel,atypelabel_map);
break;
case Atom::DIHEDRAL:
for (auto &it : lmap2->dtypelabel)
for (auto &it : lmap2->dtypelabel)
find_or_create(it,dtypelabel,dtypelabel_map);
break;
case Atom::IMPROPER:
for (auto &it : lmap2->itypelabel)
for (auto &it : lmap2->itypelabel)
find_or_create(it,itypelabel,itypelabel_map);
break;
}
@ -269,7 +269,7 @@ int LabelMap::is_complete(int mode)
return static_cast<int>(typelabel_map.size()) == natomtypes;
break;
case Atom::BOND:
if (force->bond)
if (force->bond)
return static_cast<int>(btypelabel_map.size()) == nbondtypes;
break;
case Atom::ANGLE: