all of remaining USER package styles except AWPMD

This commit is contained in:
Steve Plimpton
2019-12-03 11:15:16 -07:00
parent ccca80a6a5
commit 9e52980aaa
16 changed files with 368 additions and 4077 deletions

View File

@ -62,14 +62,16 @@ AtomVecSpin::AtomVecSpin(LAMMPS *lmp) : AtomVec(lmp)
}
/* ----------------------------------------------------------------------
clear all forces (mechanical and magnetic)
clear extra forces starting at atom N
nbytes = # of bytes to clear for a per-atom vector
include f b/c this is invoked from within SPIN pair styles
------------------------------------------------------------------------- */
void AtomVecSpin::force_clear(int /*n*/, size_t nbytes)
void AtomVecSpin::force_clear(int n, size_t nbytes)
{
memset(&atom->f[0][0],0,3*nbytes);
memset(&atom->fm[0][0],0,3*nbytes);
memset(&atom->fm_long[0][0],0,3*nbytes);
memset(&atom->f[n][0],0,3*nbytes);
memset(&atom->fm[n][0],0,3*nbytes);
memset(&atom->fm_long[n][0],0,3*nbytes);
}
/* ----------------------------------------------------------------------