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use alternate implementation of numeric conversion functions

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these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
This commit is contained in:
Axel Kohlmeyer
2019-07-08 17:40:30 -04:00
parent b469ff6791
commit cfaa537296
36 changed files with 479 additions and 248 deletions
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19
src/SPIN/atom_vec_spin.cpp
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@ -35,6 +35,7 @@
#include "force.h"
#include "memory.h"
#include "modify.h"
#include "utils.h"
using namespace LAMMPS_NS;
@ -813,7 +814,7 @@ void AtomVecSpin::data_atom(double *coord, imageint imagetmp, char **values)
if (nlocal == nmax) grow(0);
tag[nlocal] = ATOTAGINT(values[0]);
type[nlocal] = force->inumeric(FLERR,values[1]);
type[nlocal] = utils::inumeric(FLERR,values[1],true,lmp);
if (type[nlocal] <= 0 || type[nlocal] > atom->ntypes)
error->one(FLERR,"Invalid atom type in Atoms section of data file");
@ -821,10 +822,10 @@ void AtomVecSpin::data_atom(double *coord, imageint imagetmp, char **values)
x[nlocal][1] = coord[1];
x[nlocal][2] = coord[2];
sp[nlocal][3] = force->numeric(FLERR,values[2]);
sp[nlocal][0] = force->numeric(FLERR,values[6]);
sp[nlocal][1] = force->numeric(FLERR,values[7]);
sp[nlocal][2] = force->numeric(FLERR,values[8]);
sp[nlocal][3] = utils::numeric(FLERR,values[2],true,lmp);
sp[nlocal][0] = utils::numeric(FLERR,values[6],true,lmp);
sp[nlocal][1] = utils::numeric(FLERR,values[7],true,lmp);
sp[nlocal][2] = utils::numeric(FLERR,values[8],true,lmp);
double inorm = 1.0/sqrt(sp[nlocal][0]*sp[nlocal][0] +
sp[nlocal][1]*sp[nlocal][1] +
sp[nlocal][2]*sp[nlocal][2]);
@ -850,16 +851,16 @@ void AtomVecSpin::data_atom(double *coord, imageint imagetmp, char **values)
int AtomVecSpin::data_atom_hybrid(int nlocal, char **values)
{
sp[nlocal][0] = force->numeric(FLERR,values[0]);
sp[nlocal][1] = force->numeric(FLERR,values[1]);
sp[nlocal][2] = force->numeric(FLERR,values[2]);
sp[nlocal][0] = utils::numeric(FLERR,values[0],true,lmp);
sp[nlocal][1] = utils::numeric(FLERR,values[1],true,lmp);
sp[nlocal][2] = utils::numeric(FLERR,values[2],true,lmp);
double inorm = 1.0/sqrt(sp[nlocal][0]*sp[nlocal][0] +
sp[nlocal][1]*sp[nlocal][1] +
sp[nlocal][2]*sp[nlocal][2]);
sp[nlocal][0] *= inorm;
sp[nlocal][1] *= inorm;
sp[nlocal][2] *= inorm;
sp[nlocal][3] = force->numeric(FLERR,values[3]);
sp[nlocal][3] = utils::numeric(FLERR,values[3],true,lmp);
return 4;
}