diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index b5b3eda64f..b4d050412a 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -47,6 +47,7 @@ PairBornCoulLong::PairBornCoulLong(LAMMPS *lmp) : Pair(lmp) ewaldflag = pppmflag = 1; ftable = NULL; writedata = 1; + cut_respa = NULL; } /* ---------------------------------------------------------------------- */ diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index 7f369045c3..6c731b73b3 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -52,6 +52,7 @@ PairBuckLongCoulLong::PairBuckLongCoulLong(LAMMPS *lmp) : Pair(lmp) writedata = 1; ftable = NULL; fdisptable = NULL; + cut_respa = NULL; } /* ---------------------------------------------------------------------- diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp index 004835007d..9a9f2f3783 100644 --- a/src/KSPACE/pair_coul_long.cpp +++ b/src/KSPACE/pair_coul_long.cpp @@ -46,6 +46,7 @@ PairCoulLong::PairCoulLong(LAMMPS *lmp) : Pair(lmp) ewaldflag = pppmflag = 1; ftable = NULL; qdist = 0.0; + cut_respa = NULL; } /* ---------------------------------------------------------------------- */ diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp index 22ed923b49..390005d80e 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp @@ -51,6 +51,7 @@ PairLJCharmmCoulLong::PairLJCharmmCoulLong(LAMMPS *lmp) : Pair(lmp) implicit = 0; mix_flag = ARITHMETIC; writedata = 1; + cut_respa = NULL; } /* ---------------------------------------------------------------------- */ diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp index ce7fda5f18..0371ac42c5 100644 --- a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp @@ -55,6 +55,7 @@ PairLJCharmmfswCoulLong::PairLJCharmmfswCoulLong(LAMMPS *lmp) : Pair(lmp) implicit = 0; mix_flag = ARITHMETIC; writedata = 1; + cut_respa = NULL; // short-range/long-range flag accessed by DihedralCharmmfsw diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp index 23e182435d..ff20dc2570 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long.cpp @@ -53,6 +53,7 @@ PairLJCutCoulLong::PairLJCutCoulLong(LAMMPS *lmp) : Pair(lmp) writedata = 1; ftable = NULL; qdist = 0.0; + cut_respa = NULL; } /* ---------------------------------------------------------------------- */ diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index 4af3cdeecd..94955d2d6d 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -55,6 +55,7 @@ PairLJLongCoulLong::PairLJLongCoulLong(LAMMPS *lmp) : Pair(lmp) ftable = NULL; fdisptable = NULL; qdist = 0.0; + cut_respa = NULL; } /* ---------------------------------------------------------------------- diff --git a/src/pair_coul_streitz.h b/src/pair_coul_streitz.h index c304365270..0f23c111c7 100644 --- a/src/pair_coul_streitz.h +++ b/src/pair_coul_streitz.h @@ -55,7 +55,6 @@ class PairCoulStreitz : public Pair { // Kspace parameters int kspacetype; double cut_coul, cut_coulsq; - double *cut_respa; double **scale; // Wolf diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp index f554872965..8be6fefa44 100644 --- a/src/pair_lj96_cut.cpp +++ b/src/pair_lj96_cut.cpp @@ -41,6 +41,7 @@ PairLJ96Cut::PairLJ96Cut(LAMMPS *lmp) : Pair(lmp) { respa_enable = 1; writedata = 1; + cut_respa = NULL; } /* ---------------------------------------------------------------------- */ diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp index 4ce82381f3..f031401a00 100644 --- a/src/pair_mie_cut.cpp +++ b/src/pair_mie_cut.cpp @@ -40,6 +40,7 @@ using namespace MathConst; PairMIECut::PairMIECut(LAMMPS *lmp) : Pair(lmp) { respa_enable = 1; + cut_respa = NULL; } /* ---------------------------------------------------------------------- */