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Fixing typos

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This commit is contained in:
Joel Clemmer
2020-11-22 20:01:14 -07:00
parent af11a54a27
commit 00a74558ff
9 changed files with 63 additions and 29 deletions
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46
src/comm_brick.cpp
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@ -158,7 +158,7 @@ void CommBrick::setup()
// for multi:
// cutghostmulti = same as cutghost, only for each atom type
int i;
int i,j;
int ntypes = atom->ntypes;
double *prd,*sublo,*subhi;
@ -175,14 +175,23 @@ void CommBrick::setup()
if (mode == Comm::MULTI) {
if (multi2) {
// If using multi2 binlists, use the itype-itype interaction distance for communication
// If using multi2 binlists, communicate itype particles a distance
// equal to the max of itype-jtype interaction given smaller jtype particles
double **cutneighsq = neighbor->cutneighsq;
for (i = 1; i <= ntypes; i++) {
double *cuttypesq = neighbor->cuttypesq;
for (i = 1; i <= ntypes; i++) {
cut = 0.0;
if (cutusermulti) cut = cutusermulti[i];
cutghostmulti[i][0] = MAX(cut,sqrt(cutneighsq[i][i]));
cutghostmulti[i][1] = MAX(cut,sqrt(cutneighsq[i][i]));
cutghostmulti[i][2] = MAX(cut,sqrt(cutneighsq[i][i]));
if (cutusermulti) {
cutghostmulti[i][0] = cutusermulti[i];
cutghostmulti[i][1] = cutusermulti[i];
cutghostmulti[i][2] = cutusermulti[i];
}
for (j = 1; j <= ntypes; j++){
if(cuttypesq[j] > cuttypesq[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]));
}
}
} else {
// If using a single binlist, use the max itype-jtype interaction distance for communication
@ -212,14 +221,27 @@ void CommBrick::setup()
if (mode == Comm::MULTI) {
if (multi2) {
// If using multi2 binlists, use the itype-itype interaction distance for communication
// If using multi2 binlists, communicate itype particles a distance
// equal to the max of itype-jtype interaction given smaller jtype particles
double **cutneighsq = neighbor->cutneighsq;
double *cuttypesq = neighbor->cuttypesq;
for (i = 1; i <= ntypes; i++) {
cut = 0.0;
if (cutusermulti) cut = cutusermulti[i];
cutghostmulti[i][0] = length0 * MAX(cut,sqrt(cutneighsq[i][i]));
cutghostmulti[i][1] = length1 * MAX(cut,sqrt(cutneighsq[i][i]));
cutghostmulti[i][2] = length2 * MAX(cut,sqrt(cutneighsq[i][i]));
if (cutusermulti) {
cutghostmulti[i][0] = cutusermulti[i];
cutghostmulti[i][1] = cutusermulti[i];
cutghostmulti[i][2] = cutusermulti[i];
}
for (j = 1; j <= ntypes; j++){
if(cuttypesq[j] > cuttypesq[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]));
}
cutghostmulti[i][0] *= length0;
cutghostmulti[i][1] *= length1;
cutghostmulti[i][2] *= length2;
}
} else {
// If using a single binlist, use the max itype-jtype interaction distance for communication