Unverified Commit 8f6e4545 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

single functions for CORESHELL styles are not implemented

parent 58546692

src/CORESHELL/pair_born_coul_long_cs.cpp

+1 −0
Original line number Diff line number Diff line
@@ -41,6 +41,7 @@ using namespace LAMMPS_NS; 
PairBornCoulLongCS::PairBornCoulLongCS(LAMMPS *lmp) : PairBornCoulLong(lmp)

{

  ewaldflag = pppmflag = 1;

  single_enable = 0; // TODO: single function does not match compute

  ftable = NULL;

  writedata = 1;

}

src/CORESHELL/pair_coul_long_cs.cpp

+1 −0
Original line number Diff line number Diff line
@@ -41,6 +41,7 @@ using namespace LAMMPS_NS; 
PairCoulLongCS::PairCoulLongCS(LAMMPS *lmp) : PairCoulLong(lmp)

{

  ewaldflag = pppmflag = 1;

  single_enable = 0; // TODO: single function does not match compute

  ftable = NULL;

  qdist = 0.0;

}

src/CORESHELL/pair_lj_class2_coul_long_cs.cpp

+1 −0
Original line number Diff line number Diff line
@@ -38,6 +38,7 @@ PairLJClass2CoulLongCS::PairLJClass2CoulLongCS(LAMMPS *lmp) : PairLJClass2CoulLo 
{

  ewaldflag = pppmflag = 1;

  respa_enable = 0;  // TODO: r-RESPA handling is inconsistent and thus disabled until fixed

  single_enable = 0; // TODO: single function does not match compute

  writedata = 1;

  ftable = NULL;

}

src/CORESHELL/pair_lj_cut_coul_long_cs.cpp

+1 −0
Original line number Diff line number Diff line
@@ -42,6 +42,7 @@ PairLJCutCoulLongCS::PairLJCutCoulLongCS(LAMMPS *lmp) : PairLJCutCoulLong(lmp) 
{

  ewaldflag = pppmflag = 1;

  respa_enable = 0;  // TODO: r-RESPA handling is inconsistent and thus disabled until fixed

  single_enable = 0; // TODO: single function does not match compute

  writedata = 1;

  ftable = NULL;

  qdist = 0.0;

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