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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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44
src/read_data.cpp
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@ -148,13 +148,13 @@ void ReadData::command(int narg, char **arg)
if (atom->molecule_flag && (iarg+3 > narg))
error->all(FLERR,"Illegal read_data command");
addflag = VALUE;
bigint offset = force->bnumeric(FLERR,arg[iarg+1]);
bigint offset = utils::bnumeric(FLERR,arg[iarg+1],false,lmp);
if (offset > MAXTAGINT)
error->all(FLERR,"Read data add atomID offset is too big");
id_offset = offset;
if (atom->molecule_flag) {
offset = force->bnumeric(FLERR,arg[iarg+2]);
offset = utils::bnumeric(FLERR,arg[iarg+2],false,lmp);
if (offset > MAXTAGINT)
error->all(FLERR,"Read data add molID offset is too big");
mol_offset = offset;
@ -165,11 +165,11 @@ void ReadData::command(int narg, char **arg)
} else if (strcmp(arg[iarg],"offset") == 0) {
if (iarg+6 > narg) error->all(FLERR,"Illegal read_data command");
offsetflag = 1;
toffset = force->inumeric(FLERR,arg[iarg+1]);
boffset = force->inumeric(FLERR,arg[iarg+2]);
aoffset = force->inumeric(FLERR,arg[iarg+3]);
doffset = force->inumeric(FLERR,arg[iarg+4]);
ioffset = force->inumeric(FLERR,arg[iarg+5]);
toffset = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
boffset = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
aoffset = utils::inumeric(FLERR,arg[iarg+3],false,lmp);
doffset = utils::inumeric(FLERR,arg[iarg+4],false,lmp);
ioffset = utils::inumeric(FLERR,arg[iarg+5],false,lmp);
if (toffset < 0 || boffset < 0 || aoffset < 0 ||
doffset < 0 || ioffset < 0)
error->all(FLERR,"Illegal read_data command");
@ -177,9 +177,9 @@ void ReadData::command(int narg, char **arg)
} else if (strcmp(arg[iarg],"shift") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal read_data command");
shiftflag = 1;
shift[0] = force->numeric(FLERR,arg[iarg+1]);
shift[1] = force->numeric(FLERR,arg[iarg+2]);
shift[2] = force->numeric(FLERR,arg[iarg+3]);
shift[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
shift[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
shift[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (domain->dimension == 2 && shift[2] != 0.0)
error->all(FLERR,"Non-zero read_data shift z value for 2d simulation");
iarg += 4;
@ -188,28 +188,28 @@ void ReadData::command(int narg, char **arg)
iarg ++;
} else if (strcmp(arg[iarg],"extra/atom/types") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
extra_atom_types = force->inumeric(FLERR,arg[iarg+1]);
extra_atom_types = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (extra_atom_types < 0) error->all(FLERR,"Illegal read_data command");
iarg += 2;
} else if (strcmp(arg[iarg],"extra/bond/types") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (!atom->avec->bonds_allow)
error->all(FLERR,"No bonds allowed with this atom style");
extra_bond_types = force->inumeric(FLERR,arg[iarg+1]);
extra_bond_types = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (extra_bond_types < 0) error->all(FLERR,"Illegal read_data command");
iarg += 2;
} else if (strcmp(arg[iarg],"extra/angle/types") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (!atom->avec->angles_allow)
error->all(FLERR,"No angles allowed with this atom style");
extra_angle_types = force->inumeric(FLERR,arg[iarg+1]);
extra_angle_types = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (extra_angle_types < 0) error->all(FLERR,"Illegal read_data command");
iarg += 2;
} else if (strcmp(arg[iarg],"extra/dihedral/types") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (!atom->avec->dihedrals_allow)
error->all(FLERR,"No dihedrals allowed with this atom style");
extra_dihedral_types = force->inumeric(FLERR,arg[iarg+1]);
extra_dihedral_types = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (extra_dihedral_types < 0)
error->all(FLERR,"Illegal read_data command");
iarg += 2;
@ -217,7 +217,7 @@ void ReadData::command(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (!atom->avec->impropers_allow)
error->all(FLERR,"No impropers allowed with this atom style");
extra_improper_types = force->inumeric(FLERR,arg[iarg+1]);
extra_improper_types = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (extra_improper_types < 0)
error->all(FLERR,"Illegal read_data command");
iarg += 2;
@ -225,7 +225,7 @@ void ReadData::command(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
error->all(FLERR,"No bonds allowed with this atom style");
atom->extra_bond_per_atom = force->inumeric(FLERR,arg[iarg+1]);
atom->extra_bond_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_bond_per_atom < 0)
error->all(FLERR,"Illegal read_data command");
iarg += 2;
@ -233,7 +233,7 @@ void ReadData::command(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
error->all(FLERR,"No angles allowed with this atom style");
atom->extra_angle_per_atom = force->inumeric(FLERR,arg[iarg+1]);
atom->extra_angle_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_angle_per_atom < 0)
error->all(FLERR,"Illegal read_data command");
iarg += 2;
@ -241,7 +241,7 @@ void ReadData::command(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
error->all(FLERR,"No dihedrals allowed with this atom style");
atom->extra_dihedral_per_atom = force->inumeric(FLERR,arg[iarg+1]);
atom->extra_dihedral_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_dihedral_per_atom < 0)
error->all(FLERR,"Illegal read_data command");
iarg += 2;
@ -249,7 +249,7 @@ void ReadData::command(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
error->all(FLERR,"No impropers allowed with this atom style");
atom->extra_improper_per_atom = force->inumeric(FLERR,arg[iarg+1]);
atom->extra_improper_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_improper_per_atom < 0)
error->all(FLERR,"Illegal read_data command");
iarg += 2;
@ -257,7 +257,7 @@ void ReadData::command(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
error->all(FLERR,"No bonded interactions allowed with this atom style");
force->special_extra = force->inumeric(FLERR,arg[iarg+1]);
force->special_extra = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (force->special_extra < 0)
error->all(FLERR,"Illegal read_data command");
iarg += 2;
@ -2075,11 +2075,11 @@ void ReadData::parse_coeffs(char *line, const char *addstr,
if (narg == 0) return;
if (noffset) {
int value = force->inumeric(FLERR,arg[0]);
int value = utils::inumeric(FLERR,arg[0],false,lmp);
sprintf(argoffset1,"%d",value+offset);
arg[0] = argoffset1;
if (noffset == 2) {
value = force->inumeric(FLERR,arg[1]);
value = utils::inumeric(FLERR,arg[1],false,lmp);
sprintf(argoffset2,"%d",value+offset);
arg[1] = argoffset2;
}