single functions for CORESHELL styles are not implemented
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@ -41,6 +41,7 @@ using namespace LAMMPS_NS;
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PairBornCoulLongCS::PairBornCoulLongCS(LAMMPS *lmp) : PairBornCoulLong(lmp)
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PairBornCoulLongCS::PairBornCoulLongCS(LAMMPS *lmp) : PairBornCoulLong(lmp)
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{
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{
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ewaldflag = pppmflag = 1;
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ewaldflag = pppmflag = 1;
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single_enable = 0; // TODO: single function does not match compute
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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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}
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}
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@ -41,6 +41,7 @@ using namespace LAMMPS_NS;
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PairCoulLongCS::PairCoulLongCS(LAMMPS *lmp) : PairCoulLong(lmp)
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PairCoulLongCS::PairCoulLongCS(LAMMPS *lmp) : PairCoulLong(lmp)
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{
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{
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ewaldflag = pppmflag = 1;
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ewaldflag = pppmflag = 1;
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single_enable = 0; // TODO: single function does not match compute
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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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}
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}
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@ -38,6 +38,7 @@ PairLJClass2CoulLongCS::PairLJClass2CoulLongCS(LAMMPS *lmp) : PairLJClass2CoulLo
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{
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{
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ewaldflag = pppmflag = 1;
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ewaldflag = pppmflag = 1;
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respa_enable = 0; // TODO: r-RESPA handling is inconsistent and thus disabled until fixed
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respa_enable = 0; // TODO: r-RESPA handling is inconsistent and thus disabled until fixed
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single_enable = 0; // TODO: single function does not match compute
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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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}
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}
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@ -42,6 +42,7 @@ PairLJCutCoulLongCS::PairLJCutCoulLongCS(LAMMPS *lmp) : PairLJCutCoulLong(lmp)
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{
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{
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ewaldflag = pppmflag = 1;
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ewaldflag = pppmflag = 1;
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respa_enable = 0; // TODO: r-RESPA handling is inconsistent and thus disabled until fixed
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respa_enable = 0; // TODO: r-RESPA handling is inconsistent and thus disabled until fixed
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single_enable = 0; // TODO: single function does not match compute
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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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