ICODE-ADC/lammps
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Minor updates and documentation

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This commit is contained in:
Joel Clemmer
2020-10-09 11:38:18 -06:00
parent bc1c16d1a6
commit dc86c37e23
7 changed files with 19 additions and 11 deletions
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src/npair_half_size_multi_newton.cpp
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@ -11,9 +11,7 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <string.h>
#include "npair_half_size_multi_newton.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "atom.h"
#include "atom_vec.h"
@ -27,6 +25,7 @@ using namespace LAMMPS_NS;
NPairHalfSizeMultiNewton::NPairHalfSizeMultiNewton(LAMMPS *lmp) : NPair(lmp) {}
/* ----------------------------------------------------------------------
size particles
binned neighbor list construction with full Newton's 3rd law
each owned atom i checks its own bin and other bins in Newton stencil
multi-type stencil is itype dependent and is distance checked
@ -45,7 +44,6 @@ void NPairHalfSizeMultiNewton::build(NeighList *list)
double *radius = atom->radius;
int *type = atom->type;
int *mask = atom->mask;
tagint *tag = atom->tag;
tagint *molecule = atom->molecule;
int nlocal = atom->nlocal;
if (includegroup) nlocal = atom->nfirst;