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removed unnecessary headers and converted ints for tag and mol to tagint

This commit is contained in:
cdt1802 2020-01-13 12:56:30 +00:00
parent 869e2f0916
commit 601658fa50
1 changed files with 9 additions and 11 deletions
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20
src/MESOCNT/pair_mesocnt.cpp
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@ -19,8 +19,6 @@
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <fstream>
#include <string>
#include "pair_mesocnt.h"
#include "atom.h"
#include "comm.h"
@ -130,8 +128,8 @@ void PairMesoCNT::compute(int eflag, int vflag)
double **x = atom->x;
double **f = atom->f;
int **bondlist = neighbor->bondlist;
int *tag = atom->tag;
int *mol = atom->molecule;
tagint *tag = atom->tag;
tagint *mol = atom->molecule;
int nlocal = atom->nlocal;
int nbondlist = neighbor->nbondlist;
int newton_pair = force->newton_pair;
@ -688,8 +686,8 @@ void PairMesoCNT::bond_neigh()
void PairMesoCNT::neigh_common(int i1, int i2, int &numred, int *redlist)
{
int nlocal = atom->nlocal;
int *tag = atom->tag;
int *mol = atom->molecule;
tagint *tag = atom->tag;
tagint *mol = atom->molecule;
int *numneigh = list->numneigh;
int **firstneigh = list->firstneigh;
int numneigh1,numneigh2;
@ -749,8 +747,8 @@ void PairMesoCNT::chain_split(int *redlist, int numred,
return;
}
int *tag = atom->tag;
int *mol = atom->molecule;
tagint *tag = atom->tag;
tagint *mol = atom->molecule;
int clen = 0;
int cid = 0;
@ -773,8 +771,8 @@ void PairMesoCNT::chain_split(int *redlist, int numred,
for (int j = 0; j < cid; j++) {
int cstart = chain[j][0];
int cend = chain[j][nchain[j]-1];
int tagstart = tag[cstart];
int tagend = tag[cend];
tagint tagstart = tag[cstart];
tagint tagend = tag[cend];
end[j] = 0;
if (tagstart == 1) end[j] = 1;
else {
@ -798,7 +796,7 @@ void PairMesoCNT::chain_split(int *redlist, int numred,
void PairMesoCNT::sort(int *list, int size)
{
int i,j,temp1,temp2;
int *tag = atom->tag;
tagint *tag = atom->tag;
for (int i = 1; i < size; i++) {
j = i;
temp1 = list[j-1];