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address uninitialized data warnings from coverity scan

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This commit is contained in:
Axel Kohlmeyer
2022-11-16 14:50:16 -05:00
parent a46b1114ff
commit b60725197f
2 changed files with 1 additions and 1 deletions
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1
src/ML-PACE/pair_pace_extrapolation.cpp
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@ -96,6 +96,7 @@ PairPACEExtrapolation::PairPACEExtrapolation(LAMMPS *lmp) : Pair(lmp)
aceimpl = new ACEALImpl;
scale = nullptr;
flag_compute_extrapolation_grade = 0;
extrapolation_grade_gamma = nullptr;
}

1
src/ML-PACE/pair_pace_extrapolation.h
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@ -51,7 +51,6 @@ class PairPACEExtrapolation : public Pair {
void allocate();
std::vector<std::string> element_names; // list of elements (used by dump pace/extrapolation)
int nelements; // # of unique elements
double *extrapolation_grade_gamma; //per-atom gamma value
int flag_compute_extrapolation_grade;