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Clarify and fix logic in multi, simplify skip

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This commit is contained in:
jtclemm
2023-12-12 15:51:02 -07:00
parent af74afdf62
commit 9100f486cb
4 changed files with 60 additions and 62 deletions
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14
src/npair_skip.cpp
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@ -22,8 +22,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
template<int SIZE, int TRIM>
NPairSkipTemp<SIZE, TRIM>::NPairSkipTemp(LAMMPS *lmp) : NPair(lmp) {}
template<int TRIM>
NPairSkipTemp<TRIM>::NPairSkipTemp(LAMMPS *lmp) : NPair(lmp) {}
/* ----------------------------------------------------------------------
build skip list for subset of types from parent list
@ -33,8 +33,8 @@ NPairSkipTemp<SIZE, TRIM>::NPairSkipTemp(LAMMPS *lmp) : NPair(lmp) {}
if ghost, also store neighbors of ghost atoms & set inum,gnum correctly
------------------------------------------------------------------------- */
template<int SIZE, int TRIM>
void NPairSkipTemp<SIZE, TRIM>::build(NeighList *list)
template<int TRIM>
void NPairSkipTemp<TRIM>::build(NeighList *list)
{
int i, j, ii, jj, n, itype, jnum, joriginal;
int *neighptr, *jlist;
@ -124,8 +124,6 @@ void NPairSkipTemp<SIZE, TRIM>::build(NeighList *list)
}
namespace LAMMPS_NS {
template class NPairSkipTemp<0,0>;
template class NPairSkipTemp<1,0>;
template class NPairSkipTemp<0,1>;
template class NPairSkipTemp<1,1>;
template class NPairSkipTemp<0>;
template class NPairSkipTemp<1>;
}