Unverified Commit 96d8d12a authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

replace calls to force->*numeric() with the corresponding utils::*numeric() 

this also removes the now obsolete functions from Force
parent 27b4e93b

src/ASPHERE/pair_gayberne.cpp

+13 −13
Original line number Diff line number Diff line
@@ -268,10 +268,10 @@ void PairGayBerne::settings(int narg, char **arg) 
{

  if (narg != 4) error->all(FLERR,"Illegal pair_style command");



  gamma = force->numeric(FLERR,arg[0]);

  upsilon = force->numeric(FLERR,arg[1])/2.0;

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

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

  gamma = utils::numeric(FLERR,arg[0],false,lmp);

  upsilon = utils::numeric(FLERR,arg[1],false,lmp)/2.0;

  mu = utils::numeric(FLERR,arg[2],false,lmp);

  cut_global = utils::numeric(FLERR,arg[3],false,lmp);



  // reset cutoffs that have been explicitly set
@@ -297,17 +297,17 @@ void PairGayBerne::coeff(int narg, char **arg) 
  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]);

  double eia_one = force->numeric(FLERR,arg[4]);

  double eib_one = force->numeric(FLERR,arg[5]);

  double eic_one = force->numeric(FLERR,arg[6]);

  double eja_one = force->numeric(FLERR,arg[7]);

  double ejb_one = force->numeric(FLERR,arg[8]);

  double ejc_one = force->numeric(FLERR,arg[9]);

  double epsilon_one = utils::numeric(FLERR,arg[2],false,lmp);

  double sigma_one = utils::numeric(FLERR,arg[3],false,lmp);

  double eia_one = utils::numeric(FLERR,arg[4],false,lmp);

  double eib_one = utils::numeric(FLERR,arg[5],false,lmp);

  double eic_one = utils::numeric(FLERR,arg[6],false,lmp);

  double eja_one = utils::numeric(FLERR,arg[7],false,lmp);

  double ejb_one = utils::numeric(FLERR,arg[8],false,lmp);

  double ejc_one = utils::numeric(FLERR,arg[9],false,lmp);



  double cut_one = cut_global;

  if (narg == 11) cut_one = force->numeric(FLERR,arg[10]);

  if (narg == 11) cut_one = utils::numeric(FLERR,arg[10],false,lmp);



  int count = 0;

  for (int i = ilo; i <= ihi; i++) {

src/ASPHERE/pair_line_lj.cpp

+7 −7
Original line number Diff line number Diff line
@@ -345,7 +345,7 @@ void PairLineLJ::settings(int narg, char **arg) 
{

  if (narg != 1) error->all(FLERR,"Illegal pair_style command");



  cut_global = force->numeric(FLERR,arg[0]);

  cut_global = utils::numeric(FLERR,arg[0],false,lmp);



  // reset cutoffs that have been explicitly set
@@ -371,14 +371,14 @@ void PairLineLJ::coeff(int narg, char **arg) 
  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]);

  double epsilon_one = force->numeric(FLERR,arg[4]);

  double sigma_one = force->numeric(FLERR,arg[5]);

  double cutsub_one = force->numeric(FLERR,arg[6]);

  double size_itype = utils::numeric(FLERR,arg[2],false,lmp);

  double size_jtype = utils::numeric(FLERR,arg[3],false,lmp);

  double epsilon_one = utils::numeric(FLERR,arg[4],false,lmp);

  double sigma_one = utils::numeric(FLERR,arg[5],false,lmp);

  double cutsub_one = utils::numeric(FLERR,arg[6],false,lmp);



  double cut_one = cut_global;

  if (narg == 8) cut_one = force->numeric(FLERR,arg[7]);

  if (narg == 8) cut_one = utils::numeric(FLERR,arg[7],false,lmp);



  int count = 0;

  for (int i = ilo; i <= ihi; i++) {

src/ASPHERE/pair_resquared.cpp

+10 −10
Original line number Diff line number Diff line
@@ -243,7 +243,7 @@ void PairRESquared::settings(int narg, char **arg) 
{

  if (narg != 1) error->all(FLERR,"Illegal pair_style command");



  cut_global = force->numeric(FLERR,arg[0]);

  cut_global = utils::numeric(FLERR,arg[0],false,lmp);



  // reset cutoffs that have been explicitly set
@@ -269,17 +269,17 @@ void PairRESquared::coeff(int narg, char **arg) 
  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]);

  double eia_one = force->numeric(FLERR,arg[4]);

  double eib_one = force->numeric(FLERR,arg[5]);

  double eic_one = force->numeric(FLERR,arg[6]);

  double eja_one = force->numeric(FLERR,arg[7]);

  double ejb_one = force->numeric(FLERR,arg[8]);

  double ejc_one = force->numeric(FLERR,arg[9]);

  double epsilon_one = utils::numeric(FLERR,arg[2],false,lmp);

  double sigma_one = utils::numeric(FLERR,arg[3],false,lmp);

  double eia_one = utils::numeric(FLERR,arg[4],false,lmp);

  double eib_one = utils::numeric(FLERR,arg[5],false,lmp);

  double eic_one = utils::numeric(FLERR,arg[6],false,lmp);

  double eja_one = utils::numeric(FLERR,arg[7],false,lmp);

  double ejb_one = utils::numeric(FLERR,arg[8],false,lmp);

  double ejc_one = utils::numeric(FLERR,arg[9],false,lmp);



  double cut_one = cut_global;

  if (narg == 11) cut_one = force->numeric(FLERR,arg[10]);

  if (narg == 11) cut_one = utils::numeric(FLERR,arg[10],false,lmp);



  int count = 0;

  for (int i = ilo; i <= ihi; i++) {

src/ASPHERE/pair_tri_lj.cpp

+4 −4
Original line number Diff line number Diff line
@@ -416,7 +416,7 @@ void PairTriLJ::settings(int narg, char **arg) 
{

  if (narg != 1) error->all(FLERR,"Illegal pair_style command");



  cut_global = force->numeric(FLERR,arg[0]);

  cut_global = utils::numeric(FLERR,arg[0],false,lmp);



  // reset cutoffs that have been explicitly set
@@ -442,11 +442,11 @@ void PairTriLJ::coeff(int narg, char **arg) 
  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]);

  double epsilon_one = utils::numeric(FLERR,arg[2],false,lmp);

  double sigma_one = utils::numeric(FLERR,arg[3],false,lmp);



  double cut_one = cut_global;

  if (narg == 5) cut_one = force->numeric(FLERR,arg[4]);

  if (narg == 5) cut_one = utils::numeric(FLERR,arg[4],false,lmp);



  int count = 0;

  for (int i = ilo; i <= ihi; i++) {

src/BODY/body_nparticle.cpp

+2 −2
Original line number Diff line number Diff line
@@ -35,8 +35,8 @@ BodyNparticle::BodyNparticle(LAMMPS *lmp, int narg, char **arg) : 
{

  if (narg != 3) error->all(FLERR,"Invalid body nparticle command");



  int nmin = force->inumeric(FLERR,arg[1]);

  int nmax = force->inumeric(FLERR,arg[2]);

  int nmin = utils::inumeric(FLERR,arg[1],false,lmp);

  int nmax = utils::inumeric(FLERR,arg[2],false,lmp);

  if (nmin <= 0 || nmin > nmax)

    error->all(FLERR,"Invalid body nparticle command");

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