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sign flip on pitorsion forces

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This commit is contained in:
Steve Plimpton
2022-04-20 11:45:55 -06:00
parent 240056f5a6
commit af1851a6bb
1 changed files with 18 additions and 18 deletions
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36
src/AMOEBA/fix_amoeba_pitorsion.cpp
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@ -501,44 +501,44 @@ void FixAmoebaPiTorsion::post_force(int vflag)
if (ia < nlocal) {
epitorsion += engfraction;
f[ia][0] -= dedxia;
f[ia][1] -= dedyia;
f[ia][2] -= dedzia;
f[ia][0] += dedxia;
f[ia][1] += dedyia;
f[ia][2] += dedzia;
}
if (ib < nlocal) {
epitorsion += engfraction;
f[ib][0] -= dedxib;
f[ib][1] -= dedyib;
f[ib][2] -= dedzib;
f[ib][0] += dedxib;
f[ib][1] += dedyib;
f[ib][2] += dedzib;
}
if (ic < nlocal) {
epitorsion += engfraction;
f[ic][0] -= dedxic;
f[ic][1] -= dedyic;
f[ic][2] -= dedzic;
f[ic][0] += dedxic;
f[ic][1] += dedyic;
f[ic][2] += dedzic;
}
if (id < nlocal) {
epitorsion += engfraction;
f[id][0] -= dedxid;
f[id][1] -= dedyid;
f[id][2] -= dedzid;
f[id][0] += dedxid;
f[id][1] += dedyid;
f[id][2] += dedzid;
}
if (ie < nlocal) {
epitorsion += engfraction;
f[ie][0] -= dedxie;
f[ie][1] -= dedyie;
f[ie][2] -= dedzie;
f[ie][0] += dedxie;
f[ie][1] += dedyie;
f[ie][2] += dedzie;
}
if (ig < nlocal) {
epitorsion += engfraction;
f[ig][0] -= dedxig;
f[ig][1] -= dedyig;
f[ig][2] -= dedzig;
f[ig][0] += dedxig;
f[ig][1] += dedyig;
f[ig][2] += dedzig;
}
// virial tensor components