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refactoring of neighbor history

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This commit is contained in:
Steve Plimpton
2017-10-10 16:53:51 -06:00
parent 93c9a92743
commit 01051e4cb1
26 changed files with 523 additions and 964 deletions
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10
src/neigh_request.cpp
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@ -42,7 +42,7 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
// default is use newton_pair setting in force
// default is no neighbors of ghosts
// default is use cutoffs, not size of particles
// default is no additional neighbor history info
// default is no associated neighbor history info in FixNeighHistory
// default is no one-sided sphere/surface interactions (when size = 1)
// default is neighbors of atoms, not bonds
// default is no multilevel rRESPA neighbors
@ -68,8 +68,6 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
cut = 0;
cutoff = 0.0;
dnum = 0;
// skip info, default is no skipping
skip = 0;
@ -88,8 +86,6 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
copylist = -1;
halffull = 0;
halffulllist = -1;
history_partner = 0;
historylist = -1;
respaouterlist = -1;
respamiddlelist = -1;
respainnerlist = -1;
@ -158,8 +154,6 @@ int NeighRequest::identical(NeighRequest *other)
if (copy != other->copy) same = 0;
if (cutoff != other->cutoff) same = 0;
if (dnum != other->dnum) same = 0;
if (skip != other->skip) same = 0;
if (skip) same = same_skip(other);
@ -226,8 +220,6 @@ void NeighRequest::copy_request(NeighRequest *other, int skipflag)
cut = other->cut;
cutoff = other->cutoff;
dnum = other->dnum;
iskip = NULL;
ijskip = NULL;