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Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin

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Conflicts:
	src/SPIN/pair_spin_exchange.cpp
	src/atom.cpp
	src/pair.cpp
This commit is contained in:
julient31
2019-04-19 15:02:25 -06:00
parent 7a2d326103 898860328b
commit a696b26301
4475 changed files with 423708 additions and 327416 deletions
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12
src/kspace.cpp
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@ -30,7 +30,7 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
KSpace::KSpace(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
KSpace::KSpace(LAMMPS *lmp) : Pointers(lmp)
{
order_allocated = 0;
energy = 0.0;
@ -168,9 +168,7 @@ void KSpace::triclinic_check()
void KSpace::compute_dummy(int eflag, int vflag)
{
if (eflag || vflag) ev_setup(eflag,vflag);
else evflag = evflag_atom = eflag_global = vflag_global =
eflag_atom = vflag_atom = 0;
ev_init(eflag,vflag);
}
/* ----------------------------------------------------------------------
@ -582,7 +580,11 @@ void KSpace::modify_params(int narg, char **arg)
else if (strcmp(arg[iarg+1],"no") == 0) auto_disp_flag = 0;
else error->all(FLERR,"Illegal kspace_modify command");
iarg += 2;
} else error->all(FLERR,"Illegal kspace_modify command");
} else {
int n = modify_param(narg-iarg,&arg[iarg]);
if (n == 0) error->all(FLERR,"Illegal kspace_modify command");
iarg += n;
}
}
}