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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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19
src/neighbor.cpp
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@ -104,10 +104,8 @@ Neighbor::Neighbor(LAMMPS *lmp) : Pointers(lmp)
maxbin = 0;
bins = NULL;
// SSA AIR binning
// USER-DPD SSA AIR binning
len_ssa_airnum = 0;
ssa_airnum = NULL;
maxbin_ssa = 0;
bins_ssa = NULL;
binhead_ssa = NULL;
@ -189,7 +187,6 @@ Neighbor::~Neighbor()
memory->destroy(gbinhead_ssa);
memory->destroy(binhead_ssa);
memory->destroy(bins_ssa);
memory->destroy(ssa_airnum);
memory->destroy(ex1_type);
memory->destroy(ex2_type);
@ -390,6 +387,15 @@ void Neighbor::init()
maxbin = maxhead = 0;
binhead = NULL;
bins = NULL;
// for USER-DPD Shardlow Splitting Algorithm (SSA)
memory->destroy(bins_ssa);
memory->destroy(binhead_ssa);
memory->destroy(gbinhead_ssa);
maxbin_ssa = maxhead_ssa = 0;
bins_ssa = NULL;
binhead_ssa = NULL;
gbinhead_ssa = NULL;
}
// 1st time allocation of xhold and bins
@ -2202,10 +2208,11 @@ bigint Neighbor::memory_usage()
if (style != NSQ) {
bytes += memory->usage(bins,maxbin);
bytes += memory->usage(binhead,maxhead);
bytes += memory->usage(bins_ssa,maxbin_ssa);
bytes += memory->usage(binhead_ssa,maxhead_ssa);
bytes += memory->usage(gbinhead_ssa,maxhead_ssa);
}
bytes += memory->usage(ssa_airnum,len_ssa_airnum);
for (int i = 0; i < nrequest; i++)
if (lists[i]) bytes += lists[i]->memory_usage();