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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46
src/lattice.cpp
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@ -58,7 +58,7 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
// before Force class is instantiated, just use atof() in that case
if (force)
xlattice = ylattice = zlattice = force->numeric(FLERR,arg[1]);
xlattice = ylattice = zlattice = utils::numeric(FLERR,arg[1],false,lmp);
else
xlattice = ylattice = zlattice = atof(arg[1]);
@ -83,7 +83,7 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
// scale = conversion factor between lattice and box units
if (narg < 2) error->all(FLERR,"Illegal lattice command");
scale = force->numeric(FLERR,arg[1]);
scale = utils::numeric(FLERR,arg[1],false,lmp);
if (scale <= 0.0) error->all(FLERR,"Illegal lattice command");
// set basis atoms for each style
@ -150,9 +150,9 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
while (iarg < narg) {
if (strcmp(arg[iarg],"origin") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal lattice command");
origin[0] = force->numeric(FLERR,arg[iarg+1]);
origin[1] = force->numeric(FLERR,arg[iarg+2]);
origin[2] = force->numeric(FLERR,arg[iarg+3]);
origin[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
origin[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
origin[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (origin[0] < 0.0 || origin[0] >= 1.0 ||
origin[1] < 0.0 || origin[1] >= 1.0 ||
origin[2] < 0.0 || origin[2] >= 1.0)
@ -170,17 +170,17 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
if (dim == 0) orient = orientx;
else if (dim == 1) orient = orienty;
else if (dim == 2) orient = orientz;
orient[0] = force->inumeric(FLERR,arg[iarg+2]);
orient[1] = force->inumeric(FLERR,arg[iarg+3]);
orient[2] = force->inumeric(FLERR,arg[iarg+4]);
orient[0] = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
orient[1] = utils::inumeric(FLERR,arg[iarg+3],false,lmp);
orient[2] = utils::inumeric(FLERR,arg[iarg+4],false,lmp);
iarg += 5;
} else if (strcmp(arg[iarg],"spacing") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal lattice command");
spaceflag = 1;
xlattice = force->numeric(FLERR,arg[iarg+1]);
ylattice = force->numeric(FLERR,arg[iarg+2]);
zlattice = force->numeric(FLERR,arg[iarg+3]);
xlattice = utils::numeric(FLERR,arg[iarg+1],false,lmp);
ylattice = utils::numeric(FLERR,arg[iarg+2],false,lmp);
zlattice = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"a1") == 0) {
@ -188,27 +188,27 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
if (style != CUSTOM)
error->all(FLERR,
"Invalid option in lattice command for non-custom style");
a1[0] = force->numeric(FLERR,arg[iarg+1]);
a1[1] = force->numeric(FLERR,arg[iarg+2]);
a1[2] = force->numeric(FLERR,arg[iarg+3]);
a1[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
a1[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
a1[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"a2") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal lattice command");
if (style != CUSTOM)
error->all(FLERR,
"Invalid option in lattice command for non-custom style");
a2[0] = force->numeric(FLERR,arg[iarg+1]);
a2[1] = force->numeric(FLERR,arg[iarg+2]);
a2[2] = force->numeric(FLERR,arg[iarg+3]);
a2[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
a2[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
a2[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"a3") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal lattice command");
if (style != CUSTOM)
error->all(FLERR,
"Invalid option in lattice command for non-custom style");
a3[0] = force->numeric(FLERR,arg[iarg+1]);
a3[1] = force->numeric(FLERR,arg[iarg+2]);
a3[2] = force->numeric(FLERR,arg[iarg+3]);
a3[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
a3[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
a3[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"basis") == 0) {
@ -216,9 +216,9 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
if (style != CUSTOM)
error->all(FLERR,
"Invalid option in lattice command for non-custom style");
double x = force->numeric(FLERR,arg[iarg+1]);
double y = force->numeric(FLERR,arg[iarg+2]);
double z = force->numeric(FLERR,arg[iarg+3]);
double x = utils::numeric(FLERR,arg[iarg+1],false,lmp);
double y = utils::numeric(FLERR,arg[iarg+2],false,lmp);
double z = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (x < 0.0 || x >= 1.0 || y < 0.0 || y >= 1.0 || z < 0.0 || z >= 1.0)
error->all(FLERR,"Illegal lattice command");
add_basis(x,y,z);