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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15274 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-09 20:41:07 +00:00
parent 18b0426c99
commit 6bc507cd6a
3 changed files with 182 additions and 96 deletions
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55
src/neigh_request.cpp
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@ -26,23 +26,28 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
id = 0;
unprocessed = 1;
// default is pair request
// class user of list: default is pair request
// only one is set to 1
pair = 1;
fix = compute = command = 0;
// default is half neighbor list
// kind of list: default is half neighbor list
// only one is set to 1
half = 1;
full = 0;
full_cluster = 0;
gran = granhistory = 0;
gran = 0;
respainner = respamiddle = respaouter = 0;
half_from_full = 0;
// 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 one-sided sphere/surface interactions (when gran = 1)
// default is no auxiliary floating point values
// default is no neighbors of ghosts
// default is no multi-threaded neighbor list build
@ -52,6 +57,8 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
occasional = 0;
newton = 0;
//special = 1;
granhistory = 0;
granonesided = 0;
dnum = 0;
ghost = 0;
omp = 0;
@ -59,7 +66,8 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
kokkos_host = kokkos_device = 0;
ssa = 0;
// default is no copy or skip
// copy/skip/derive info, default is no copy or skip
// none or only one option is set
copy = 0;
skip = 0;
@ -119,7 +127,6 @@ int NeighRequest::identical(NeighRequest *other)
if (half != other->half_original) same = 0;
if (full != other->full) same = 0;
if (gran != other->gran) same = 0;
if (granhistory != other->granhistory) same = 0;
if (respainner != other->respainner) same = 0;
if (respamiddle != other->respamiddle) same = 0;
if (respaouter != other->respaouter) same = 0;
@ -128,6 +135,8 @@ 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;
if (ghost != other->ghost) same = 0;
if (omp != other->omp) same = 0;
@ -150,6 +159,10 @@ int NeighRequest::same_kind(NeighRequest *other)
{
int same = 1;
// class caller will be same (pair), b/c called by pair hybrid styles
// kind must be the the same
if (half != other->half) same = 0;
if (full != other->full) same = 0;
if (gran != other->gran) same = 0;
@ -158,12 +171,20 @@ int NeighRequest::same_kind(NeighRequest *other)
if (respamiddle != other->respamiddle) same = 0;
if (respaouter != other->respaouter) same = 0;
if (half_from_full != other->half_from_full) same = 0;
// settings that must be the same
// other settings do not need to be the same (e.g. granonesided)
if (newton != other->newton) same = 0;
if (ghost != other->ghost) same = 0;
if (omp != other->omp) same = 0;
if (intel != other->intel) same = 0;
if (kokkos_host != other->kokkos_host) same = 0;
if (kokkos_device != other->kokkos_device) same = 0;
if (ssa != other->ssa) same = 0;
// copy/skip/derive info does not need to be the same
return same;
}
@ -192,26 +213,28 @@ int NeighRequest::same_skip(NeighRequest *other)
}
/* ----------------------------------------------------------------------
set kind and other values of this request to that of other request
set kind and optional values in this request to those of other request
not copy/skip/derive values since this may be non-skip parent of child
------------------------------------------------------------------------- */
void NeighRequest::copy_request(NeighRequest *other)
{
half = 0;
if (other->half) half = 1;
if (other->full) full = 1;
if (other->gran) gran = 1;
if (other->granhistory) granhistory = 1;
if (other->respainner) respainner = 1;
if (other->respamiddle) respamiddle = 1;
if (other->respaouter) respaouter = 1;
if (other->half_from_full) half_from_full = 1;
half = other->half;
full = other->full;
gran = other->gran;
granhistory = other->granhistory;
respainner = other->respainner;
respamiddle = other->respamiddle;
respaouter = other->respaouter;
half_from_full = other->half_from_full;
newton = other->newton;
granonesided = other->granonesided;
dnum = other->dnum;
ghost = other->ghost;
omp = other->omp;
intel = other->intel;
kokkos_host = other->kokkos_host;
kokkos_device = other->kokkos_device;
ssa = other->ssa;
}