make sure class pointers are initialized to NULL and virial accumulator.
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@ -29,6 +29,7 @@ using namespace MathConst;
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Angle::Angle(LAMMPS *lmp) : Pointers(lmp)
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{
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energy = 0.0;
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virial[0] = virial[1] = virial[2] = virial[3] = virial[4] = virial[5] = 0.0;
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writedata = 1;
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allocated = 0;
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@ -33,6 +33,9 @@ AngleHybrid::AngleHybrid(LAMMPS *lmp) : Angle(lmp)
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{
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writedata = 0;
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nstyles = 0;
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nanglelist = nullptr;
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maxangle = nullptr;
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anglelist = nullptr;
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}
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/* ---------------------------------------------------------------------- */
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@ -39,6 +39,7 @@ enum{NONE,LINEAR,SPLINE};
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Bond::Bond(LAMMPS *lmp) : Pointers(lmp)
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{
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energy = 0.0;
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virial[0] = virial[1] = virial[2] = virial[3] = virial[4] = virial[5] = 0.0;
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writedata = 1;
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allocated = 0;
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@ -34,6 +34,9 @@ BondHybrid::BondHybrid(LAMMPS *lmp) : Bond(lmp)
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writedata = 0;
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nstyles = 0;
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has_quartic = -1;
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nbondlist = nullptr;
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maxbond = nullptr;
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bondlist = nullptr;
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}
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/* ---------------------------------------------------------------------- */
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