Commit 01432343 authored by Sievers's avatar Sievers
Browse files

Merge branch 'chem_snap' of https://github.com/charlessievers/lammps into chem_snap

parents 4e5da1c9 37e5df86

src/SNAP/compute_snap.cpp

+3 −0
Original line number Diff line number Diff line
@@ -42,6 +42,9 @@ ComputeSnap::ComputeSnap(LAMMPS *lmp, int narg, char **arg) : 


  double rfac0, rmin0;

  int twojmax, switchflag, bzeroflag;

  radelem = NULL;

  wjelem = NULL;



  int ntypes = atom->ntypes;

  int nargmin = 6+2*ntypes;

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