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initializing comm distances, temporarily sorting nlit dumps

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This commit is contained in:
Joel Clemmer
2020-11-26 14:57:48 -07:00
parent d7047245f4
commit 9b9e5022d6
3 changed files with 49 additions and 16 deletions
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9
src/comm_tiled.cpp
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@ -182,14 +182,19 @@ void CommTiled::setup()
double **cutneighsq = neighbor->cutneighsq;
double *cuttypesq = neighbor->cuttypesq;
for (i = 1; i <= ntypes; i++) {
cut = 0.0;
if (cutusermulti) {
cutghostmulti[i][0] = cutusermulti[i];
cutghostmulti[i][1] = cutusermulti[i];
cutghostmulti[i][2] = cutusermulti[i];
} else {
cutghostmulti[i][0] = 0.0;
cutghostmulti[i][1] = 0.0;
cutghostmulti[i][2] = 0.0;
}
for (j = 1; j <= ntypes; j++){
if(cuttypesq[j] > cuttypesq[i]) continue;
if(cutneighsq[j][j] > cutneighsq[i][i]) continue;
cutghostmulti[i][0] = MAX(cutghostmulti[i][0],sqrt(cutneighsq[i][j]));
cutghostmulti[i][1] = MAX(cutghostmulti[i][1],sqrt(cutneighsq[i][j]));
cutghostmulti[i][2] = MAX(cutghostmulti[i][2],sqrt(cutneighsq[i][j]));