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Fixing compilation errors and finishing model classes

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This commit is contained in:
jtclemm
2022-08-01 13:12:44 -06:00
parent 8557ce7c97
commit 22de863da9
21 changed files with 903 additions and 1258 deletions
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6
src/fix_neigh_history.cpp
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@ -337,6 +337,7 @@ void FixNeighHistory::pre_exchange_newton()
int *ilist,*jlist,*numneigh,**firstneigh;
int *allflags;
double *allvalues,*onevalues,*jvalues;
int *type = atom->type;
// NOTE: all operations until very end are with
// nlocal_neigh <= current nlocal and nall_neigh
@ -430,7 +431,7 @@ void FixNeighHistory::pre_exchange_newton()
partner[j][m] = tag[i];
jvalues = &valuepartner[j][dnum*m];
if (pair->nondefault_history_transfer)
pair->transfer_history(onevalues,jvalues);
pair->transfer_history(onevalues,jvalues,type[i],type[j]);
else for (n = 0; n < dnum; n++) jvalues[n] = -onevalues[n];
}
}
@ -469,6 +470,7 @@ void FixNeighHistory::pre_exchange_no_newton()
int *ilist,*jlist,*numneigh,**firstneigh;
int *allflags;
double *allvalues,*onevalues,*jvalues;
int *type = atom->type;
// NOTE: all operations until very end are with nlocal_neigh <= current nlocal
// because previous neigh list was built with nlocal_neigh
@ -544,7 +546,7 @@ void FixNeighHistory::pre_exchange_no_newton()
partner[j][m] = tag[i];
jvalues = &valuepartner[j][dnum*m];
if (pair->nondefault_history_transfer)
pair->transfer_history(onevalues, jvalues);
pair->transfer_history(onevalues, jvalues,type[i],type[j]);
else for (n = 0; n < dnum; n++) jvalues[n] = -onevalues[n];
}
}