initialize cut_respa to NULL in constructor to avoid uninitialized access
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@ -47,6 +47,7 @@ PairBornCoulLong::PairBornCoulLong(LAMMPS *lmp) : Pair(lmp)
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ewaldflag = pppmflag = 1;
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ewaldflag = pppmflag = 1;
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ftable = NULL;
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ftable = NULL;
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writedata = 1;
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writedata = 1;
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cut_respa = NULL;
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -52,6 +52,7 @@ PairBuckLongCoulLong::PairBuckLongCoulLong(LAMMPS *lmp) : Pair(lmp)
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writedata = 1;
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writedata = 1;
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ftable = NULL;
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ftable = NULL;
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fdisptable = NULL;
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fdisptable = NULL;
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cut_respa = NULL;
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}
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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@ -46,6 +46,7 @@ PairCoulLong::PairCoulLong(LAMMPS *lmp) : Pair(lmp)
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ewaldflag = pppmflag = 1;
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ewaldflag = pppmflag = 1;
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ftable = NULL;
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ftable = NULL;
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qdist = 0.0;
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qdist = 0.0;
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cut_respa = NULL;
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -51,6 +51,7 @@ PairLJCharmmCoulLong::PairLJCharmmCoulLong(LAMMPS *lmp) : Pair(lmp)
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implicit = 0;
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implicit = 0;
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mix_flag = ARITHMETIC;
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mix_flag = ARITHMETIC;
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writedata = 1;
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writedata = 1;
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cut_respa = NULL;
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -55,6 +55,7 @@ PairLJCharmmfswCoulLong::PairLJCharmmfswCoulLong(LAMMPS *lmp) : Pair(lmp)
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implicit = 0;
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implicit = 0;
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mix_flag = ARITHMETIC;
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mix_flag = ARITHMETIC;
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writedata = 1;
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writedata = 1;
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cut_respa = NULL;
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// short-range/long-range flag accessed by DihedralCharmmfsw
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// short-range/long-range flag accessed by DihedralCharmmfsw
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@ -53,6 +53,7 @@ PairLJCutCoulLong::PairLJCutCoulLong(LAMMPS *lmp) : Pair(lmp)
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writedata = 1;
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writedata = 1;
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ftable = NULL;
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ftable = NULL;
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qdist = 0.0;
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qdist = 0.0;
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cut_respa = NULL;
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -55,6 +55,7 @@ PairLJLongCoulLong::PairLJLongCoulLong(LAMMPS *lmp) : Pair(lmp)
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ftable = NULL;
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ftable = NULL;
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fdisptable = NULL;
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fdisptable = NULL;
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qdist = 0.0;
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qdist = 0.0;
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cut_respa = NULL;
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}
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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@ -55,7 +55,6 @@ class PairCoulStreitz : public Pair {
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// Kspace parameters
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// Kspace parameters
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int kspacetype;
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int kspacetype;
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double cut_coul, cut_coulsq;
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double cut_coul, cut_coulsq;
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double *cut_respa;
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double **scale;
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double **scale;
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// Wolf
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// Wolf
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@ -41,6 +41,7 @@ PairLJ96Cut::PairLJ96Cut(LAMMPS *lmp) : Pair(lmp)
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{
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{
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respa_enable = 1;
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respa_enable = 1;
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writedata = 1;
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writedata = 1;
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cut_respa = NULL;
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -40,6 +40,7 @@ using namespace MathConst;
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PairMIECut::PairMIECut(LAMMPS *lmp) : Pair(lmp)
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PairMIECut::PairMIECut(LAMMPS *lmp) : Pair(lmp)
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{
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{
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respa_enable = 1;
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respa_enable = 1;
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cut_respa = NULL;
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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