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small code simplification for the cylinder indenter

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This commit is contained in:
Evangelos Voyiatzis
2024-01-14 17:18:33 +01:00
committed by GitHub
parent 094128dd4d
commit 921ddffda2
1 changed files with 7 additions and 18 deletions
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25
src/fix_indent.cpp
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@ -332,21 +332,10 @@ void FixIndent::post_force(int /*vflag*/)
for (int i = 0; i < nlocal; i++) for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) { if (mask[i] & groupbit) {
if (cdim == 0) { double del[3] {x[i][0] - ctr[0], x[i][1] - ctr[1], x[i][2] - ctr[2]};
delx = 0; del[cdim] = 0;
dely = x[i][1] - ctr[1]; domain->minimum_image(del[0], del[1], del[2]);
delz = x[i][2] - ctr[2]; r = sqrt(del[0]*del[0] + del[1]*del[1] + del[2]*del[2]);
} else if (cdim == 1) {
delx = x[i][0] - ctr[0];
dely = 0;
delz = x[i][2] - ctr[2];
} else {
delx = x[i][0] - ctr[0];
dely = x[i][1] - ctr[1];
delz = 0;
}
domain->minimum_image(delx,dely,delz);
r = sqrt(delx*delx + dely*dely + delz*delz);
if (side == OUTSIDE) { if (side == OUTSIDE) {
dr = r - radius; dr = r - radius;
fmag = k*dr*dr; fmag = k*dr*dr;
@ -355,9 +344,9 @@ void FixIndent::post_force(int /*vflag*/)
fmag = -k*dr*dr; fmag = -k*dr*dr;
} }
if (dr >= 0.0) continue; if (dr >= 0.0) continue;
fx = delx*fmag/r; fx = del[0]*fmag/r;
fy = dely*fmag/r; fy = del[1]*fmag/r;
fz = delz*fmag/r; fz = del[2]*fmag/r;
f[i][0] += fx; f[i][0] += fx;
f[i][1] += fy; f[i][1] += fy;
f[i][2] += fz; f[i][2] += fz;