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Resolving merge conflicts

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This commit is contained in:
Joel Thomas Clemmer
2022-03-23 14:28:27 -06:00
parent 9417e41676 3e7de83e6e
commit 92a968a8a9
1211 changed files with 219865 additions and 402506 deletions
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46
src/MISC/pair_tracker.cpp
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@ -24,7 +24,6 @@
#include "memory.h"
#include "modify.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "neighbor.h"
#include "tokenizer.h"
#include "utils.h"
@ -52,12 +51,11 @@ PairTracker::PairTracker(LAMMPS *lmp) :
// create dummy fix as placeholder for FixNeighHistory
// this is so final order of Modify:fix will conform to input script
id_fix_dummy = utils::strdup("TRACKER_DUMMY_" + std::to_string(instance_me));
modify->add_fix(fmt::format("{} all DUMMY ", id_fix_dummy));
modify->add_fix("NEIGH_HISTORY_TRACK_DUMMY all DUMMY");
fix_dummy = (FixDummy *) modify->fix[modify->nfix - 1];
id_fix_history = nullptr;
id_fix_store_local = nullptr;
fix_history = nullptr;
fix_history = nullptr;
fix_store_local = nullptr;
output_data = nullptr;
@ -69,8 +67,10 @@ PairTracker::PairTracker(LAMMPS *lmp) :
PairTracker::~PairTracker()
{
if (id_fix_dummy) modify->delete_fix(id_fix_dummy);
if (fix_history) modify->delete_fix(id_fix_history);
if (!fix_history)
modify->delete_fix("NEIGH_HISTORY_TRACK_DUMMY");
else
modify->delete_fix("NEIGH_HISTORY_TRACK");
if (id_fix_store_local) modify->delete_fix(id_fix_store_local);
if (allocated) {
@ -86,8 +86,6 @@ PairTracker::~PairTracker()
delete[] pack_choice;
delete[] id_fix_dummy;
delete[] id_fix_history;
delete[] id_fix_store_local;
memory->destroy(output_data);
@ -361,33 +359,25 @@ void PairTracker::init_style()
if (!atom->radius_flag && finitecutflag)
error->all(FLERR, "Pair tracker requires atom attribute radius for finite cutoffs");
// need a history neigh list
int irequest = neighbor->request(this, instance_me);
if (finitecutflag) {
neighbor->requests[irequest]->size = 1;
neighbor->requests[irequest]->history = 1;
// history flag won't affect results, but match granular pairstyles
// to copy neighbor list and reduce overhead
}
int neigh_flags = NeighConst::REQ_DEFAULT;
// history flag won't affect results, but match granular pairstyles
// so neighborlist can be copied to reduce overhead
if (finitecutflag) neigh_flags |= NeighConst::REQ_SIZE | NeighConst::REQ_HISTORY;
neighbor->add_request(this, neigh_flags);
// if history is stored and first init, create Fix to store history
// it replaces FixDummy, created in the constructor
// this is so its order in the fix list is preserved
if (id_fix_dummy) {
id_fix_history = utils::strdup("TRACKER_NEIGH_HIST_" + std::to_string(instance_me));
fix_history = (FixNeighHistory *) modify->replace_fix(id_fix_dummy,
fmt::format("{} all NEIGH_HISTORY {}", id_fix_history, size_history), 1);
if (fix_history == nullptr) {
modify->replace_fix("NEIGH_HISTORY_TRACK_DUMMY",
fmt::format("NEIGH_HISTORY_TRACK all NEIGH_HISTORY {}", size_history), 1);
fix_history = (FixNeighHistory *) modify->get_fix_by_id("NEIGH_HISTORY_TRACK");
fix_history->pair = this;
fix_history->use_bit_flag = 0;
delete [] id_fix_dummy;
id_fix_dummy = nullptr;
} else {
ifix = modify->find_fix(id_fix_history);
if (ifix < 0) error->all(FLERR, "Could not find pair fix neigh history ID");
fix_history = (FixNeighHistory *) modify->fix[ifix];
fix_history = (FixNeighHistory *) modify->get_fix_by_id("NEIGH_HISTORY_TRACK");
if (!fix_history) error->all(FLERR, "Could not find pair fix neigh history ID");
}
if (finitecutflag) {