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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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13
src/fix_aveforce.cpp
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@ -43,6 +43,8 @@ FixAveForce::FixAveForce(LAMMPS *lmp, int narg, char **arg) :
size_vector = 3;
global_freq = 1;
extvector = 1;
respa_level_support = 1;
ilevel_respa = nlevels_respa = 0;
xstr = ystr = zstr = NULL;
@ -161,8 +163,11 @@ void FixAveForce::init()
if (xstyle == EQUAL || ystyle == EQUAL || zstyle == EQUAL) varflag = EQUAL;
else varflag = CONSTANT;
if (strstr(update->integrate_style,"respa"))
if (strstr(update->integrate_style,"respa")) {
nlevels_respa = ((Respa *) update->integrate)->nlevels;
if (respa_level >= 0) ilevel_respa = MIN(respa_level,nlevels_respa-1);
else ilevel_respa = nlevels_respa-1;
}
}
/* ---------------------------------------------------------------------- */
@ -255,10 +260,10 @@ void FixAveForce::post_force(int vflag)
void FixAveForce::post_force_respa(int vflag, int ilevel, int iloop)
{
// ave + extra force on outermost level
// just ave on inner levels
// ave + extra force on selected RESPA level
// just ave on all other levels
if (ilevel == nlevels_respa-1) post_force(vflag);
if (ilevel == ilevel_respa) post_force(vflag);
else {
Region *region = NULL;
if (iregion >= 0) {