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Merge branch 'develop' into atom-style-var-with-python

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This commit is contained in:
Axel Kohlmeyer
2025-06-06 00:20:06 -04:00
parent 1b12f3b47e b3f160c118
commit f69d28fbab
168 changed files with 7506 additions and 2506 deletions
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src/create_atoms.cpp
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@ -881,7 +881,7 @@ void CreateAtoms::add_random()
delx = xone[0] - x[i][0];
dely = xone[1] - x[i][1];
delz = xone[2] - x[i][2];
domain->minimum_image(delx, dely, delz);
domain->minimum_image(FLERR, delx, dely, delz);
distsq = delx * delx + dely * dely + delz * delz;
if (distsq < odistsq) {
reject = 1;
@ -897,7 +897,7 @@ void CreateAtoms::add_random()
delx = xmol[j][0] - x[i][0];
dely = xmol[j][1] - x[i][1];
delz = xmol[j][2] - x[i][2];
domain->minimum_image(delx, dely, delz);
domain->minimum_image(FLERR, delx, dely, delz);
distsq = delx * delx + dely * dely + delz * delz;
if (distsq < odistsq) {
reject = 1;