Unverified Commit fcd0b9f7 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

move Force::bounds() and Force::boundsbig() to utils.

parent 3be06474

src/ASPHERE/pair_gayberne.cpp

+2 −2
Original line number Diff line number Diff line
@@ -294,8 +294,8 @@ void PairGayBerne::coeff(int narg, char **arg) 
  if (!allocated) allocate();



  int ilo,ihi,jlo,jhi;

  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);

  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);

  utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);

  utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);



  double epsilon_one = force->numeric(FLERR,arg[2]);

  double sigma_one = force->numeric(FLERR,arg[3]);

src/ASPHERE/pair_line_lj.cpp

+3 −2
Original line number Diff line number Diff line
@@ -20,6 +20,7 @@ 
#include "neigh_list.h"

#include "memory.h"

#include "error.h"

#include "utils.h"



using namespace LAMMPS_NS;
@@ -367,8 +368,8 @@ void PairLineLJ::coeff(int narg, char **arg) 
  if (!allocated) allocate();



  int ilo,ihi,jlo,jhi;

  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);

  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);

  utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);

  utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);



  double size_itype = force->numeric(FLERR,arg[2]);

  double size_jtype = force->numeric(FLERR,arg[3]);

src/ASPHERE/pair_resquared.cpp

+2 −2
Original line number Diff line number Diff line
@@ -266,8 +266,8 @@ void PairRESquared::coeff(int narg, char **arg) 
  if (!allocated) allocate();



  int ilo,ihi,jlo,jhi;

  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);

  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);

  utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);

  utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);



  double epsilon_one = force->numeric(FLERR,arg[2]);

  double sigma_one = force->numeric(FLERR,arg[3]);

src/ASPHERE/pair_tri_lj.cpp

+3 −2
Original line number Diff line number Diff line
@@ -21,6 +21,7 @@ 
#include "neigh_list.h"

#include "memory.h"

#include "error.h"

#include "utils.h"



using namespace LAMMPS_NS;
@@ -438,8 +439,8 @@ void PairTriLJ::coeff(int narg, char **arg) 
  if (!allocated) allocate();



  int ilo,ihi,jlo,jhi;

  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);

  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);

  utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);

  utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);



  double epsilon_one = force->numeric(FLERR,arg[2]);

  double sigma_one = force->numeric(FLERR,arg[3]);

src/BODY/pair_body_nparticle.cpp

+3 −2
Original line number Diff line number Diff line
@@ -23,6 +23,7 @@ 
#include "neigh_list.h"

#include "memory.h"

#include "error.h"

#include "utils.h"



using namespace LAMMPS_NS;
@@ -385,8 +386,8 @@ void PairBodyNparticle::coeff(int narg, char **arg) 
  if (!allocated) allocate();



  int ilo,ihi,jlo,jhi;

  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);

  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);

  utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);

  utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);



  double epsilon_one = force->numeric(FLERR,arg[2]);

  double sigma_one = force->numeric(FLERR,arg[3]);

CRA Git | Maintained and supported by SUSTech CRA and CCSE