update neighbor list requests with default settings
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@ -18,7 +18,6 @@
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#include "comm.h"
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#include "error.h"
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#include "group.h"
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#include "neigh_request.h"
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#include "neighbor.h"
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#include "ATC_Method.h"
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@ -558,11 +557,7 @@ int FixATC::modify_param(int narg, char** arg)
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void FixATC::init()
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{
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// Guarantee construction of full neighborlist
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int irequest = neighbor->request(this,instance_me);
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neighbor->requests[irequest]->pair = 0;
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neighbor->requests[irequest]->fix = 1;
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neighbor->requests[irequest]->half = 0;
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neighbor->requests[irequest]->full = 1;
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neighbor->add_request(this, NeighConst::REQ_FULL);
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// create computes, if necessary
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atc_->init_computes();
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@ -422,7 +422,7 @@ void PairBodyNparticle::init_style()
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error->all(FLERR,"Pair body/nparticle requires body style nparticle");
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bptr = (BodyNparticle *) avec->bptr;
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neighbor->request(this,instance_me);
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neighbor->add_request(this);
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}
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/* ----------------------------------------------------------------------
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@ -427,7 +427,7 @@ void PairBodyRoundedPolygon::init_style()
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error->all(FLERR,"Pair body/rounded/polygon requires "
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"ghost atoms store velocity");
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neighbor->request(this);
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neighbor->add_request(this);
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// find the maximum enclosing radius for each atom type
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@ -406,7 +406,7 @@ void PairBodyRoundedPolyhedron::init_style()
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error->all(FLERR,"Pair body/rounded/polyhedron requires "
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"ghost atoms store velocity");
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neighbor->request(this);
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neighbor->add_request(this);
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// find the maximum enclosing radius for each atom type
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@ -315,7 +315,7 @@ void PairMEAM::init_style()
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// need a full and a half neighbor list
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neighbor->add_request(this, NeighConst::REQ_FULL)->set_id(1);
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neighbor->add_request(this, NeighConst::REQ_DEFAULT)->set_id(2);
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neighbor->add_request(this)->set_id(2);
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}
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/* ----------------------------------------------------------------------
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@ -490,17 +490,15 @@ void PairLJCutTIP4PCut::init_style()
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if (atom->tag_enable == 0)
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error->all(FLERR,"Pair style lj/cut/tip4p/cut requires atom IDs");
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if (!force->newton_pair)
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error->all(FLERR,
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"Pair style lj/cut/tip4p/cut requires newton pair on");
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error->all(FLERR,"Pair style lj/cut/tip4p/cut requires newton pair on");
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if (!atom->q_flag)
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error->all(FLERR,
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"Pair style lj/cut/tip4p/cut requires atom attribute q");
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error->all(FLERR,"Pair style lj/cut/tip4p/cut requires atom attribute q");
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if (force->bond == nullptr)
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error->all(FLERR,"Must use a bond style with TIP4P potential");
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if (force->angle == nullptr)
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error->all(FLERR,"Must use an angle style with TIP4P potential");
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neighbor->request(this,instance_me);
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neighbor->add_request(this);
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// set alpha parameter
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@ -419,17 +419,15 @@ void PairTIP4PCut::init_style()
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if (atom->tag_enable == 0)
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error->all(FLERR,"Pair style tip4p/cut requires atom IDs");
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if (!force->newton_pair)
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error->all(FLERR,
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"Pair style tip4p/cut requires newton pair on");
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error->all(FLERR,"Pair style tip4p/cut requires newton pair on");
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if (!atom->q_flag)
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error->all(FLERR,
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"Pair style tip4p/cut requires atom attribute q");
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error->all(FLERR,"Pair style tip4p/cut requires atom attribute q");
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if (force->bond == nullptr)
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error->all(FLERR,"Must use a bond style with TIP4P potential");
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if (force->angle == nullptr)
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error->all(FLERR,"Must use an angle style with TIP4P potential");
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neighbor->request(this,instance_me);
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neighbor->request(this);
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// set alpha parameter
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@ -341,7 +341,7 @@ void PairLJSwitch3CoulGaussLong::init_style()
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error->all(FLERR,"Pair style requires a KSpace style");
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g_ewald = force->kspace->g_ewald;
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neighbor->request(this,instance_me);
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neighbor->add_request(this);
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// setup force tables
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@ -343,7 +343,7 @@ void PairMM3Switch3CoulGaussLong::init_style()
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error->all(FLERR,"Pair style requires a KSpace style");
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g_ewald = force->kspace->g_ewald;
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neighbor->request(this,instance_me);
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neighbor->add_request(this);
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// setup force tables
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@ -326,7 +326,7 @@ void Pair::reinit()
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void Pair::init_style()
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{
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neighbor->add_request(this, NeighConst::REQ_DEFAULT);
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neighbor->add_request(this);
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}
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/* ----------------------------------------------------------------------
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@ -264,7 +264,7 @@ void PairBuckCoulCut::init_style()
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{
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if (!atom->q_flag) error->all(FLERR, "Pair style buck/coul/cut requires atom attribute q");
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neighbor->add_request(this, NeighConst::REQ_DEFAULT);
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neighbor->add_request(this);
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}
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/* ----------------------------------------------------------------------
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@ -201,7 +201,7 @@ void PairCoulCut::init_style()
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{
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if (!atom->q_flag) error->all(FLERR, "Pair style coul/cut requires atom attribute q");
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neighbor->add_request(this, NeighConst::REQ_DEFAULT);
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neighbor->add_request(this);
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}
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/* ----------------------------------------------------------------------
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@ -203,7 +203,7 @@ void PairCoulDSF::init_style()
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{
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if (!atom->q_flag) error->all(FLERR, "Pair style coul/dsf requires atom attribute q");
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neighbor->add_request(this, NeighConst::REQ_DEFAULT);
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neighbor->add_request(this);
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cut_coulsq = cut_coul * cut_coul;
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double erfcc = erfc(alpha * cut_coul);
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@ -205,7 +205,7 @@ void PairCoulWolf::init_style()
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{
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if (!atom->q_flag) error->all(FLERR, "Pair coul/wolf requires atom attribute q");
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neighbor->add_request(this, NeighConst::REQ_DEFAULT);
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neighbor->add_request(this);
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cut_coulsq = cut_coul * cut_coul;
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}
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@ -254,7 +254,7 @@ void PairLJCutCoulCut::init_style()
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{
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if (!atom->q_flag) error->all(FLERR, "Pair style lj/cut/coul/cut requires atom attribute q");
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neighbor->add_request(this, NeighConst::REQ_DEFAULT);
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neighbor->add_request(this);
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}
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/* ----------------------------------------------------------------------
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@ -236,7 +236,7 @@ void PairZBL::coeff(int narg, char **arg)
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void PairZBL::init_style()
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{
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neighbor->add_request(this, NeighConst::REQ_DEFAULT);
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neighbor->add_request(this);
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cut_innersq = cut_inner * cut_inner;
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cut_globalsq = cut_global * cut_global;
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