Commit 7db3d7b5 authored by Donatas Surblys's avatar Donatas Surblys
Browse files

setting cntatmstressflag = 1 for true pariwise styles

parent 0a64dff1

src/CLASS2/pair_lj_class2.cpp

+1 −0
Original line number Diff line number Diff line
@@ -35,6 +35,7 @@ PairLJClass2::PairLJClass2(LAMMPS *lmp) : Pair(lmp) 
{

  respa_enable = 1;

  writedata = 1;

  cntratmstressflag = 1;

}



/* ---------------------------------------------------------------------- */

src/CLASS2/pair_lj_class2_coul_cut.cpp

+1 −0
Original line number Diff line number Diff line
@@ -33,6 +33,7 @@ using namespace MathConst; 
PairLJClass2CoulCut::PairLJClass2CoulCut(LAMMPS *lmp) : Pair(lmp)

{

  writedata = 1;

  cntratmstressflag = 1;

}



/* ---------------------------------------------------------------------- */

src/PYTHON/pair_python.cpp

+1 −0
Original line number Diff line number Diff line
@@ -40,6 +40,7 @@ PairPython::PairPython(LAMMPS *lmp) : Pair(lmp) { 
  one_coeff = 1;

  reinitflag = 0;

  cut_global = 0.0;

  cntratmstressflag = 1;



  py_potential = NULL;

  skip_types = NULL;

src/USER-FEP/pair_coul_cut_soft.cpp

+3 −1
Original line number Diff line number Diff line
@@ -32,7 +32,9 @@ using namespace LAMMPS_NS; 


/* ---------------------------------------------------------------------- */



PairCoulCutSoft::PairCoulCutSoft(LAMMPS *lmp) : Pair(lmp) {}

PairCoulCutSoft::PairCoulCutSoft(LAMMPS *lmp) : Pair(lmp) {

  cntratmstressflag = 1;

}



/* ---------------------------------------------------------------------- */

src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp

+1 −0
Original line number Diff line number Diff line
@@ -33,6 +33,7 @@ using namespace MathConst; 
PairLJClass2CoulCutSoft::PairLJClass2CoulCutSoft(LAMMPS *lmp) : Pair(lmp)

{

  writedata = 1;

  cntratmstressflag = 1;

}



/* ---------------------------------------------------------------------- */

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