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convert a few more styles to the new neighbor request API

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This commit is contained in:
Axel Kohlmeyer
2022-03-08 17:24:53 -05:00
parent 55f8bf9c51
commit 1db981c784
31 changed files with 436 additions and 514 deletions
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25
src/REPLICA/fix_hyper_local.cpp
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@ -14,9 +14,6 @@
#include "fix_hyper_local.h"
#include <cmath>
#include <cstring>
#include "atom.h"
#include "update.h"
#include "group.h"
@ -32,6 +29,9 @@
#include "memory.h"
#include "error.h"
#include <cmath>
#include <cstring>
using namespace LAMMPS_NS;
using namespace FixConst;
@ -310,15 +310,9 @@ void FixHyperLocal::init()
// NOTE: what if pair style list cutoff > Dcut
// or what if neigh skin is huge?
int irequest_full = neighbor->request(this,instance_me);
neighbor->requests[irequest_full]->id = 1;
neighbor->requests[irequest_full]->pair = 0;
neighbor->requests[irequest_full]->fix = 1;
neighbor->requests[irequest_full]->half = 0;
neighbor->requests[irequest_full]->full = 1;
neighbor->requests[irequest_full]->cut = 1;
neighbor->requests[irequest_full]->cutoff = dcut;
neighbor->requests[irequest_full]->occasional = 1;
auto req = neighbor->add_request(this, NeighConst::REQ_FULL | NeighConst::REQ_OCCASIONAL);
req->set_id(1);
req->set_cutoff(dcut);
// also need occasional half neighbor list derived from pair style
// used for building local bond list
@ -326,11 +320,8 @@ void FixHyperLocal::init()
// this list will also be built (or derived/copied)
// every time build_bond() is called
int irequest_half = neighbor->request(this,instance_me);
neighbor->requests[irequest_half]->id = 2;
neighbor->requests[irequest_half]->pair = 0;
neighbor->requests[irequest_half]->fix = 1;
neighbor->requests[irequest_half]->occasional = 1;
req = neighbor->add_request(this, NeighConst::REQ_OCCASIONAL);
req->set_id(2);
// extra timing output