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Bond history compatability delete atoms

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This commit is contained in:
jtclemm
2024-06-11 13:16:34 -06:00
parent 0f3a8d6af8
commit e0228d1f15
1 changed files with 10 additions and 0 deletions
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10
src/delete_atoms.cpp
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@ -22,6 +22,7 @@
#include "comm.h"
#include "domain.h"
#include "error.h"
#include "fix_bond_history.h"
#include "force.h"
#include "group.h"
#include "input.h"
@ -754,6 +755,10 @@ void DeleteAtoms::bondring(int nbuf, char *cbuf, void *ptr)
int nlocal = daptr->atom->nlocal;
// find instances of bond history to delete data
auto histories = daptr->modify->get_fix_by_style("BOND_HISTORY");
int n_histories = histories.size();
// cbuf = list of N deleted atom IDs from other proc, put them in hash
hash->clear();
@ -771,6 +776,11 @@ void DeleteAtoms::bondring(int nbuf, char *cbuf, void *ptr)
if (hash->find(bond_atom[i][m]) != hash->end()) {
bond_type[i][m] = bond_type[i][n - 1];
bond_atom[i][m] = bond_atom[i][n - 1];
if (n_histories > 0)
for (auto &ihistory: histories) {
dynamic_cast<FixBondHistory *>(ihistory)->shift_history(i,m,n-1);
dynamic_cast<FixBondHistory *>(ihistory)->delete_history(i,n-1);
}
n--;
} else
m++;