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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-06-17 23:48:15 +00:00
parent b161fbb52a
commit d55f968432
112 changed files with 1525 additions and 1350 deletions
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17
src/fix_addforce.cpp
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@ -47,6 +47,8 @@ FixAddForce::FixAddForce(LAMMPS *lmp, int narg, char **arg) :
global_freq = 1;
extscalar = 1;
extvector = 1;
respa_level_support = 1;
ilevel_respa = 0;
xstr = ystr = zstr = NULL;
@ -201,8 +203,13 @@ void FixAddForce::init()
update->whichflag == 2 && estyle == NONE)
error->all(FLERR,"Must use variable energy with fix addforce");
int max_respa = 0;
if (strstr(update->integrate_style,"respa"))
nlevels_respa = ((Respa *) update->integrate)->nlevels;
max_respa = ((Respa *) update->integrate)->nlevels-1;
if (respa_level >= 0)
ilevel_respa = MIN(respa_level,max_respa);
}
/* ---------------------------------------------------------------------- */
@ -212,9 +219,9 @@ void FixAddForce::setup(int vflag)
if (strstr(update->integrate_style,"verlet"))
post_force(vflag);
else {
((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
post_force_respa(vflag,nlevels_respa-1,0);
((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
((Respa *) update->integrate)->copy_flevel_f(ilevel_respa);
post_force_respa(vflag,ilevel_respa,0);
((Respa *) update->integrate)->copy_f_flevel(ilevel_respa);
}
}
@ -324,7 +331,7 @@ void FixAddForce::post_force(int vflag)
void FixAddForce::post_force_respa(int vflag, int ilevel, int iloop)
{
if (ilevel == nlevels_respa-1) post_force(vflag);
if (ilevel == ilevel_respa) post_force(vflag);
}
/* ---------------------------------------------------------------------- */