ICODE-ADC/lammps
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replace calls to force->*numeric() with the corresponding utils::*numeric()

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this also removes the now obsolete functions from Force
This commit is contained in:
Axel Kohlmeyer
2020-08-29 19:32:03 -04:00
parent 27b4e93bf5
commit 96d8d12a88
506 changed files with 3042 additions and 3135 deletions
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32
src/respa.cpp
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@ -53,13 +53,13 @@ Respa::Respa(LAMMPS *lmp, int narg, char **arg) :
nhybrid_styles = 0;
if (narg < 1) error->all(FLERR,"Illegal run_style respa command");
nlevels = force->inumeric(FLERR,arg[0]);
nlevels = utils::inumeric(FLERR,arg[0],false,lmp);
if (nlevels < 1) error->all(FLERR,"Respa levels must be >= 1");
if (narg < nlevels) error->all(FLERR,"Illegal run_style respa command");
loop = new int[nlevels];
for (int iarg = 1; iarg < nlevels; iarg++) {
loop[iarg-1] = force->inumeric(FLERR,arg[iarg]);
loop[iarg-1] = utils::inumeric(FLERR,arg[iarg],false,lmp);
if (loop[iarg-1] <= 0) error->all(FLERR,"Illegal run_style respa command");
}
loop[nlevels-1] = 1;
@ -81,43 +81,43 @@ Respa::Respa(LAMMPS *lmp, int narg, char **arg) :
while (iarg < narg) {
if (strcmp(arg[iarg],"bond") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run_style respa command");
level_bond = force->inumeric(FLERR,arg[iarg+1]) - 1;
level_bond = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
iarg += 2;
} else if (strcmp(arg[iarg],"angle") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run_style respa command");
level_angle = force->inumeric(FLERR,arg[iarg+1]) - 1;
level_angle = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
iarg += 2;
} else if (strcmp(arg[iarg],"dihedral") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run_style respa command");
level_dihedral = force->inumeric(FLERR,arg[iarg+1]) - 1;
level_dihedral = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
iarg += 2;
} else if (strcmp(arg[iarg],"improper") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run_style respa command");
level_improper = force->inumeric(FLERR,arg[iarg+1]) - 1;
level_improper = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
iarg += 2;
} else if (strcmp(arg[iarg],"pair") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run_style respa command");
level_pair = force->inumeric(FLERR,arg[iarg+1]) - 1;
level_pair = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
iarg += 2;
} else if (strcmp(arg[iarg],"inner") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal run_style respa command");
level_inner = force->inumeric(FLERR,arg[iarg+1]) - 1;
cutoff[0] = force->numeric(FLERR,arg[iarg+2]);
cutoff[1] = force->numeric(FLERR,arg[iarg+3]);
level_inner = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
cutoff[0] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
cutoff[1] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"middle") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal run_style respa command");
level_middle = force->inumeric(FLERR,arg[iarg+1]) - 1;
cutoff[2] = force->numeric(FLERR,arg[iarg+2]);
cutoff[3] = force->numeric(FLERR,arg[iarg+3]);
level_middle = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
cutoff[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
cutoff[3] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"outer") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run_style respa command");
level_outer = force->inumeric(FLERR,arg[iarg+1]) - 1;
level_outer = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
iarg += 2;
} else if (strcmp(arg[iarg],"kspace") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run_style respa command");
level_kspace = force->inumeric(FLERR,arg[iarg+1]) - 1;
level_kspace = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
iarg += 2;
} else if (strcmp(arg[iarg],"hybrid") == 0) {
// the hybrid keyword requires a hybrid pair style
@ -132,7 +132,7 @@ Respa::Respa(LAMMPS *lmp, int narg, char **arg) :
hybrid_compute = new int[nhybrid_styles];
for (int i=0; i < nhybrid_styles; ++i) {
++iarg;
hybrid_level[i] = force->inumeric(FLERR,arg[iarg])-1;
hybrid_level[i] = utils::inumeric(FLERR,arg[iarg],false,lmp)-1;
}
++iarg;
} else error->all(FLERR,"Illegal run_style respa command");