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new neighbor list changes

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This commit is contained in:
Steve Plimpton
2016-09-07 13:42:58 -06:00
parent 0252347d43
commit c9c2ae6c61
259 changed files with 23076 additions and 14650 deletions
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18
src/neigh_request.cpp
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@ -24,7 +24,6 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
// default ID = 0
id = 0;
unprocessed = 1;
// class user of list: default is pair request
// only one is set to 1
@ -37,16 +36,19 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
half = 1;
full = 0;
full_cluster = 0;
gran = 0;
gran = granhistory = 0;
respainner = respamiddle = respaouter = 0;
half_from_full = 0;
full_cluster = 0;
// only set when command = 1;
command_style = NULL;
// combination of settings, mutiple can be set to 1
// default is every reneighboring
// default is use newton_pair setting in force
// default is encode special bond flags
// default is no granular history (when gran = 1)
// default is no size history (when gran = 1)
// default is no one-sided sphere/surface interactions (when gran = 1)
// default is no auxiliary floating point values
// default is no neighbors of ghosts
@ -56,8 +58,6 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
occasional = 0;
newton = 0;
//special = 1;
granhistory = 0;
granonesided = 0;
dnum = 0;
ghost = 0;
@ -73,6 +73,7 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
skip = 0;
iskip = NULL;
ijskip = NULL;
off2on = 0;
otherlist = -1;
}
@ -113,8 +114,6 @@ int NeighRequest::identical(NeighRequest *other)
// and appearing to be old, when it is really new
// only needed for classes with persistent neigh lists: Fix, Compute, Pair
if (other->unprocessed) same = 0;
if (requestor != other->requestor) same = 0;
if (requestor_instance != other->requestor_instance) same = 0;
if (id != other->id) same = 0;
@ -134,7 +133,6 @@ int NeighRequest::identical(NeighRequest *other)
if (newton != other->newton) same = 0;
if (occasional != other->occasional) same = 0;
//if (special != other->special) same = 0;
if (granhistory != other->granhistory) same = 0;
if (granonesided != other->granonesided) same = 0;
if (dnum != other->dnum) same = 0;