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This commit is contained in:
Axel Kohlmeyer
2022-04-12 18:36:51 -04:00
parent 8c153adceb
commit 09b08ecd85
2 changed files with 3 additions and 3 deletions
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4
src/fix_update_special_bonds.cpp
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@ -154,11 +154,11 @@ void FixUpdateSpecialBonds::pre_force(int /*vflag*/)
tag2 = it.second; tag2 = it.second;
i1 = atom->map(tag1); i1 = atom->map(tag1);
i2 = atom->map(tag2); i2 = atom->map(tag2);
// Loop through atoms of owned atoms i j // Loop through atoms of owned atoms i j
if (i1 < nlocal) { if (i1 < nlocal) {
jlist = firstneigh[i1]; jlist = firstneigh[i1];
jnum = numneigh[i1]; jnum = numneigh[i1];
for (jj = 0; jj < jnum; jj++) { for (jj = 0; jj < jnum; jj++) {
j = jlist[jj]; j = jlist[jj];
j &= SPECIALMASK; // Clear special bond bits j &= SPECIALMASK; // Clear special bond bits

2
src/fix_update_special_bonds.h
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@ -34,7 +34,7 @@ class FixUpdateSpecialBonds : public Fix {
int setmask(); int setmask();
void setup(int); void setup(int);
void pre_exchange(); void pre_exchange();
void pre_force(int); void pre_force(int);
void add_broken_bond(int,int); void add_broken_bond(int,int);
protected: protected: