ICODE-ADC/lammps
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initialize all class members

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This commit is contained in:
Axel Kohlmeyer
2023-08-23 03:28:06 -04:00
parent 9999f775cc
commit aec1f46291
1 changed files with 3 additions and 5 deletions
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8
src/EXTRA-COMPUTE/compute_local_comp_atom.cpp
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@ -38,11 +38,11 @@ using namespace MathConst;
/* ---------------------------------------------------------------------- */
ComputeLocalCompAtom::ComputeLocalCompAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg), result(nullptr)
Compute(lmp, narg, arg), list(nullptr), result(nullptr)
{
if (narg < 3 || narg > 5) error->all(FLERR, "Illegal compute local/comp/atom command");
cutoff = 0.0;
cutsq = cutoff = 0.0;
int iarg = 3;
while (iarg < narg) {
@ -196,9 +196,7 @@ void ComputeLocalCompAtom::compute_peratom()
// local comp fractions per element
double lfac = 1.0 / count;
for (int n = 1; n < size_peratom_cols; n++)
result[i][n+1] *= lfac;
for (int n = 1; n < size_peratom_cols; n++) result[i][n + 1] *= lfac;
}
}
}