Commit JT 082318

- corrected memory errors in pppm_dipole and pppm_dipole_spin
- created fm_long in atom_vec_spin
- fm_long added to fm in initial_integrate (in ComputeInteractionsSpin)
This commit is contained in:
julient31
2018-08-23 15:18:30 -06:00
parent 8d79db03d3
commit cf1d421e10
17 changed files with 288 additions and 101 deletions

View File

@ -106,7 +106,6 @@ void AtomVecSpin::grow_reset()
sp = atom->sp; fm = atom->fm; fm_long = atom->fm_long;
}
/* ----------------------------------------------------------------------
copy atom I info to atom J
------------------------------------------------------------------------- */