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added tilt factors

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This commit is contained in:
Christian Negre
2017-07-14 10:05:38 -06:00
parent 6032b8846e
commit 60faca2896
1 changed files with 5 additions and 3 deletions
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8
src/LATTE/fix_latte.cpp
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@ -46,7 +46,8 @@ using namespace FixConst;
extern "C" {
void latte(int *, int *, double *, int *, int *,
double *, double *, double *, double *, int*,
double *, double *, double *, double *,
double *, double *, double *, int*,
double *, double *, double *, double * );
}
@ -281,8 +282,9 @@ void FixLatte::post_force(int vflag)
else forces = &atom->f[0][0];
int maxiter = -1;
latte(flags,&natoms,coords,type,&ntypes,mass,boxlo,boxhi,
latte(flags,&natoms,coords,type,&ntypes,mass,boxlo,boxhi,&domain->xy,
&domain->xz,&domain->yz,
forces,&maxiter,&latte_energy,&atom->v[0][0],&update->dt,virial);
// sum LATTE forces to LAMMPS (Coulombic) forces