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check remaining per-atom initializations

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This commit is contained in:
jrgissing
2023-05-30 17:17:54 -04:00
parent c934208a4a
commit 088d870e20
1 changed files with 8 additions and 5 deletions
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13
src/atom.cpp
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@ -2131,13 +2131,16 @@ void Atom::add_molecule_atom(Molecule *onemol, int iatom, int ilocal, tagint off
for (int i = 0; i < nivector; ++i)
if (ivname[i] != nullptr) ivector[i][ilocal] = 0;
for (int i = 0; i < ndvector; ++i) dvector[i][ilocal] = 0.0;
for (int i = 0; i < ndvector; ++i)
if (dvname[i] != nullptr) dvector[i][ilocal] = 0.0;
for (int i = 0; i < niarray; ++i)
for (int j = 0; j < icols[i]; ++j)
iarray[i][ilocal][j] = 0;
if (ianame[i] != nullptr)
for (int j = 0; j < icols[i]; ++j)
iarray[i][ilocal][j] = 0;
for (int i = 0; i < ndarray; ++i)
for (int j = 0; j < dcols[i]; ++j)
darray[i][ilocal][j] = 0.0;
if (daname[i] != nullptr)
for (int j = 0; j < dcols[i]; ++j)
darray[i][ilocal][j] = 0.0;
if (molecular != Atom::MOLECULAR) return;