#include "openmc/settings.h"

#include <cmath> // for ceil, pow

#include <limits> // for numeric_limits

#include <string>

#include <fmt/core.h>

#ifdef _OPENMP

#include <omp.h>

#endif

#include "openmc/capi.h"

#include "openmc/constants.h"

#include "openmc/container_util.h"

#include "openmc/distribution.h"

#include "openmc/distribution_multi.h"

#include "openmc/distribution_spatial.h"

#include "openmc/eigenvalue.h"

#include "openmc/error.h"

#include "openmc/file_utils.h"

#include "openmc/mesh.h"

#include "openmc/message_passing.h"

#include "openmc/output.h"

#include "openmc/random_lcg.h"

#include "openmc/simulation.h"

#include "openmc/source.h"

#include "openmc/string_utils.h"

#include "openmc/tallies/trigger.h"

#include "openmc/volume_calc.h"

#include "openmc/weight_windows.h"

#include "openmc/xml_interface.h"

namespace openmc {

//==============================================================================

// Global variables

//==============================================================================

namespace settings {

// Default values for boolean flags

bool assume_separate {false};

bool check_overlaps {false};

bool cmfd_run {false};

bool confidence_intervals {false};

bool create_fission_neutrons {true};

bool delayed_photon_scaling {true};

bool entropy_on {false};

bool event_based {false};

bool legendre_to_tabular {true};

bool material_cell_offsets {true};

bool output_summary {true};

bool output_tallies {true};

bool particle_restart_run {false};

bool photon_transport {false};

bool reduce_tallies {true};

bool res_scat_on {false};

bool restart_run {false};

bool run_CE {true};

bool source_latest {false};

bool source_separate {false};

bool source_write {true};

bool surf_source_write {false};

bool surf_source_read {false};

bool survival_biasing {false};

bool temperature_multipole {false};

bool trigger_on {false};

bool trigger_predict {false};

bool ufs_on {false};

bool urr_ptables_on {true};

bool weight_windows_on {false};

bool write_all_tracks {false};

bool write_initial_source {false};

std::string path_cross_sections;

std::string path_input;

std::string path_output;

std::string path_particle_restart;

std::string path_sourcepoint;

std::string path_statepoint;

int32_t n_inactive {0};

int32_t max_lost_particles {10};

double rel_max_lost_particles {1.0e-6};

int32_t gen_per_batch {1};

int64_t n_particles {-1};

int64_t max_particles_in_flight {100000};

ElectronTreatment electron_treatment {ElectronTreatment::TTB};

array<double, 4> energy_cutoff {0.0, 1000.0, 0.0, 0.0};

int legendre_to_tabular_points {C_NONE};

int max_order {0};

int n_log_bins {8000};

int n_batches;

int n_max_batches;

int max_splits {1000};

int max_tracks {1000};

ResScatMethod res_scat_method {ResScatMethod::rvs};

double res_scat_energy_min {0.01};

double res_scat_energy_max {1000.0};

vector<std::string> res_scat_nuclides;

RunMode run_mode {RunMode::UNSET};

std::unordered_set<int> sourcepoint_batch;

std::unordered_set<int> statepoint_batch;

std::unordered_set<int> source_write_surf_id;

int64_t max_surface_particles;

TemperatureMethod temperature_method {TemperatureMethod::NEAREST};

double temperature_tolerance {10.0};

double temperature_default {293.6};

array<double, 2> temperature_range {0.0, 0.0};

int trace_batch;

int trace_gen;

int64_t trace_particle;

vector<array<int, 3>> track_identifiers;

int trigger_batch_interval {1};

int verbosity {7};

double weight_cutoff {0.25};

double weight_survive {1.0};

} // namespace settings

//==============================================================================

// Functions

//==============================================================================

void get_run_parameters(pugi::xml_node node_base)

{

using namespace settings;

using namespace pugi;

// Check number of particles

if (!check_for_node(node_base, "particles")) {

fatal_error("Need to specify number of particles.");

}

// Get number of particles if it wasn't specified as a command-line argument

if (n_particles == -1) {

n_particles = std::stoll(get_node_value(node_base, "particles"));

}

// Get maximum number of in flight particles for event-based mode

if (check_for_node(node_base, "max_particles_in_flight")) {

max_particles_in_flight =

std::stoll(get_node_value(node_base, "max_particles_in_flight"));

}

// Get number of basic batches

if (check_for_node(node_base, "batches")) {

n_batches = std::stoi(get_node_value(node_base, "batches"));

}

if (!trigger_on)

n_max_batches = n_batches;

// Get max number of lost particles

if (check_for_node(node_base, "max_lost_particles")) {

max_lost_particles =

std::stoi(get_node_value(node_base, "max_lost_particles"));

}

// Get relative number of lost particles

if (check_for_node(node_base, "rel_max_lost_particles")) {

rel_max_lost_particles =

std::stod(get_node_value(node_base, "rel_max_lost_particles"));

}

// Get number of inactive batches

if (run_mode == RunMode::EIGENVALUE) {

if (check_for_node(node_base, "inactive")) {

n_inactive = std::stoi(get_node_value(node_base, "inactive"));

}

if (check_for_node(node_base, "generations_per_batch")) {

gen_per_batch =

std::stoi(get_node_value(node_base, "generations_per_batch"));

}

// Preallocate space for keff and entropy by generation

int m = settings::n_max_batches * settings::gen_per_batch;

simulation::k_generation.reserve(m);

simulation::entropy.reserve(m);

// Get the trigger information for keff

if (check_for_node(node_base, "keff_trigger")) {

xml_node node_keff_trigger = node_base.child("keff_trigger");

if (check_for_node(node_keff_trigger, "type")) {

auto temp = get_node_value(node_keff_trigger, "type", true, true);

if (temp == "std_dev") {

keff_trigger.metric = TriggerMetric::standard_deviation;

} else if (temp == "variance") {

keff_trigger.metric = TriggerMetric::variance;

} else if (temp == "rel_err") {

keff_trigger.metric = TriggerMetric::relative_error;

} else {

fatal_error("Unrecognized keff trigger type " + temp);

}

} else {

fatal_error("Specify keff trigger type in settings XML");

}

if (check_for_node(node_keff_trigger, "threshold")) {

keff_trigger.threshold =

std::stod(get_node_value(node_keff_trigger, "threshold"));

if (keff_trigger.threshold <= 0) {

fatal_error("keff trigger threshold must be positive");

}

} else {

fatal_error("Specify keff trigger threshold in settings XML");

}

}

}

}

void read_settings_xml()

{

using namespace settings;

using namespace pugi;

// Check if settings.xml exists

std::string filename = path_input + "settings.xml";

if (!file_exists(filename)) {

if (run_mode != RunMode::PLOTTING) {

fatal_error(

fmt::format("Settings XML file '{}' does not exist! In order "

"to run OpenMC, you first need a set of input files; at a "

"minimum, this "

"includes settings.xml, geometry.xml, and materials.xml. "

"Please consult "

"the user's guide at https://docs.openmc.org for further "

"information.",

filename));

} else {

// The settings.xml file is optional if we just want to make a plot.

return;

}

}

// Parse settings.xml file

xml_document doc;

auto result = doc.load_file(filename.c_str());

if (!result) {

fatal_error("Error processing settings.xml file.");

}

// Get root element

xml_node root = doc.document_element();

// Verbosity

if (check_for_node(root, "verbosity")) {

verbosity = std::stoi(get_node_value(root, "verbosity"));

}

// To this point, we haven't displayed any output since we didn't know what

// the verbosity is. Now that we checked for it, show the title if necessary

if (mpi::master) {

if (verbosity >= 2)

title();

}

write_message("Reading settings XML file...", 5);

// Find if a multi-group or continuous-energy simulation is desired

if (check_for_node(root, "energy_mode")) {

std::string temp_str = get_node_value(root, "energy_mode", true, true);

if (temp_str == "mg" || temp_str == "multi-group") {

run_CE = false;

} else if (temp_str == "ce" || temp_str == "continuous-energy") {

run_CE = true;

}

}

// Look for deprecated cross_sections.xml file in settings.xml

if (check_for_node(root, "cross_sections")) {

warning(

"Setting cross_sections in settings.xml has been deprecated."

" The cross_sections are now set in materials.xml and the "

"cross_sections input to materials.xml and the OPENMC_CROSS_SECTIONS"

" environment variable will take precendent over setting "

"cross_sections in settings.xml.");

path_cross_sections = get_node_value(root, "cross_sections");

}

if (!run_CE) {

// Scattering Treatments

if (check_for_node(root, "max_order")) {

max_order = std::stoi(get_node_value(root, "max_order"));

} else {

// Set to default of largest int - 1, which means to use whatever is

// contained in library. This is largest int - 1 because for legendre

// scattering, a value of 1 is added to the order; adding 1 to the largest

// int gets you the largest negative integer, which is not what we want.

max_order = std::numeric_limits<int>::max() - 1;

}

}

// Check for a trigger node and get trigger information

if (check_for_node(root, "trigger")) {

xml_node node_trigger = root.child("trigger");

// Check if trigger(s) are to be turned on

trigger_on = get_node_value_bool(node_trigger, "active");

if (trigger_on) {

if (check_for_node(node_trigger, "max_batches")) {

n_max_batches = std::stoi(get_node_value(node_trigger, "max_batches"));

} else {

fatal_error("<max_batches> must be specified with triggers");

}

// Get the batch interval to check triggers

if (!check_for_node(node_trigger, "batch_interval")) {

trigger_predict = true;

} else {

trigger_batch_interval =

std::stoi(get_node_value(node_trigger, "batch_interval"));

if (trigger_batch_interval <= 0) {

fatal_error("Trigger batch interval must be greater than zero");

}

}

}

}

// Check run mode if it hasn't been set from the command line

xml_node node_mode;

if (run_mode == RunMode::UNSET) {

if (check_for_node(root, "run_mode")) {

std::string temp_str = get_node_value(root, "run_mode", true, true);

if (temp_str == "eigenvalue") {

run_mode = RunMode::EIGENVALUE;

} else if (temp_str == "fixed source") {

run_mode = RunMode::FIXED_SOURCE;

} else if (temp_str == "plot") {

run_mode = RunMode::PLOTTING;

} else if (temp_str == "particle restart") {

run_mode = RunMode::PARTICLE;

} else if (temp_str == "volume") {

run_mode = RunMode::VOLUME;

} else {

fatal_error("Unrecognized run mode: " + temp_str);

}

// Assume XML specifies <particles>, <batches>, etc. directly

node_mode = root;

} else {

warning("<run_mode> should be specified.");

// Make sure that either eigenvalue or fixed source was specified

node_mode = root.child("eigenvalue");

if (node_mode) {

run_mode = RunMode::EIGENVALUE;

} else {

node_mode = root.child("fixed_source");

if (node_mode) {

run_mode = RunMode::FIXED_SOURCE;

} else {

fatal_error("<eigenvalue> or <fixed_source> not specified.");

}

}

}

}

if (run_mode == RunMode::EIGENVALUE || run_mode == RunMode::FIXED_SOURCE) {

// Read run parameters

get_run_parameters(node_mode);

// Check number of active batches, inactive batches, max lost particles and

// particles

if (n_batches <= n_inactive) {

fatal_error("Number of active batches must be greater than zero.");

} else if (n_inactive < 0) {

fatal_error("Number of inactive batches must be non-negative.");

} else if (n_particles <= 0) {

fatal_error("Number of particles must be greater than zero.");

} else if (max_lost_particles <= 0) {

fatal_error("Number of max lost particles must be greater than zero.");

} else if (rel_max_lost_particles <= 0.0 || rel_max_lost_particles >= 1.0) {

fatal_error("Relative max lost particles must be between zero and one.");

}

}

// Copy random number seed if specified

if (check_for_node(root, "seed")) {

auto seed = std::stoll(get_node_value(root, "seed"));

openmc_set_seed(seed);

}

// Check for electron treatment

if (check_for_node(root, "electron_treatment")) {

auto temp_str = get_node_value(root, "electron_treatment", true, true);

if (temp_str == "led") {

electron_treatment = ElectronTreatment::LED;

} else if (temp_str == "ttb") {

electron_treatment = ElectronTreatment::TTB;

} else {

fatal_error("Unrecognized electron treatment: " + temp_str + ".");

}

}

// Check for photon transport

if (check_for_node(root, "photon_transport")) {

photon_transport = get_node_value_bool(root, "photon_transport");

if (!run_CE && photon_transport) {

fatal_error("Photon transport is not currently supported in "

"multigroup mode");

}

}

// Number of bins for logarithmic grid

if (check_for_node(root, "log_grid_bins")) {

n_log_bins = std::stoi(get_node_value(root, "log_grid_bins"));

if (n_log_bins < 1) {

fatal_error("Number of bins for logarithmic grid must be greater "

"than zero.");

}

}

// Number of OpenMP threads

if (check_for_node(root, "threads")) {

if (mpi::master)

warning("The <threads> element has been deprecated. Use "

"the OMP_NUM_THREADS environment variable to set the number of "

"threads.");

}

// ==========================================================================

// EXTERNAL SOURCE

// Get point to list of <source> elements and make sure there is at least one

for (pugi::xml_node node : root.children("source")) {

if (check_for_node(node, "file")) {

auto path = get_node_value(node, "file", false, true);

model::external_sources.push_back(make_unique<FileSource>(path));

} else if (check_for_node(node, "library")) {

// Get shared library path and parameters

auto path = get_node_value(node, "library", false, true);

std::string parameters;

if (check_for_node(node, "parameters")) {

parameters = get_node_value(node, "parameters", false, true);

}

// Create custom source

model::external_sources.push_back(

make_unique<CustomSourceWrapper>(path, parameters));

} else {

model::external_sources.push_back(make_unique<IndependentSource>(node));

}

}

// Check if the user has specified to read surface source

if (check_for_node(root, "surf_source_read")) {

surf_source_read = true;

// Get surface source read node

xml_node node_ssr = root.child("surf_source_read");

std::string path = "surface_source.h5";

// Check if the user has specified different file for surface source reading

if (check_for_node(node_ssr, "path")) {

path = get_node_value(node_ssr, "path", false, true);

}

model::external_sources.push_back(make_unique<FileSource>(path));

}

// If no source specified, default to isotropic point source at origin with

// Watt spectrum

if (model::external_sources.empty()) {

double T[] {0.0};

double p[] {1.0};

model::external_sources.push_back(make_unique<IndependentSource>(

UPtrSpace {new SpatialPoint({0.0, 0.0, 0.0})},

UPtrAngle {new Isotropic()}, UPtrDist {new Watt(0.988e6, 2.249e-6)},

UPtrDist {new Discrete(T, p, 1)}));

}

// Check if we want to write out source

if (check_for_node(root, "write_initial_source")) {

write_initial_source = get_node_value_bool(root, "write_initial_source");

}

// Survival biasing

if (check_for_node(root, "survival_biasing")) {

survival_biasing = get_node_value_bool(root, "survival_biasing");

}

// Probability tables

if (check_for_node(root, "ptables")) {

urr_ptables_on = get_node_value_bool(root, "ptables");

}

// Cutoffs

if (check_for_node(root, "cutoff")) {

xml_node node_cutoff = root.child("cutoff");

if (check_for_node(node_cutoff, "weight")) {

weight_cutoff = std::stod(get_node_value(node_cutoff, "weight"));

}

if (check_for_node(node_cutoff, "weight_avg")) {

weight_survive = std::stod(get_node_value(node_cutoff, "weight_avg"));

}

if (check_for_node(node_cutoff, "energy_neutron")) {

energy_cutoff[0] =

std::stod(get_node_value(node_cutoff, "energy_neutron"));

} else if (check_for_node(node_cutoff, "energy")) {

warning("The use of an <energy> cutoff is deprecated and should "

"be replaced by <energy_neutron>.");

energy_cutoff[0] = std::stod(get_node_value(node_cutoff, "energy"));

}

if (check_for_node(node_cutoff, "energy_photon")) {

energy_cutoff[1] =

std::stod(get_node_value(node_cutoff, "energy_photon"));

}

if (check_for_node(node_cutoff, "energy_electron")) {

energy_cutoff[2] =

std::stof(get_node_value(node_cutoff, "energy_electron"));

}

if (check_for_node(node_cutoff, "energy_positron")) {

energy_cutoff[3] =

std::stod(get_node_value(node_cutoff, "energy_positron"));

}

}

// Particle trace

if (check_for_node(root, "trace")) {

auto temp = get_node_array<int64_t>(root, "trace");

if (temp.size() != 3) {

fatal_error("Must provide 3 integers for <trace> that specify the "

"batch, generation, and particle number.");

}

trace_batch = temp.at(0);

trace_gen = temp.at(1);

trace_particle = temp.at(2);

}

// Particle tracks

if (check_for_node(root, "track")) {

// Get values and make sure there are three per particle

auto temp = get_node_array<int>(root, "track");

if (temp.size() % 3 != 0) {

fatal_error(

"Number of integers specified in 'track' is not "

"divisible by 3. Please provide 3 integers per particle to be "

"tracked.");

}

// Reshape into track_identifiers

int n_tracks = temp.size() / 3;

for (int i = 0; i < n_tracks; ++i) {

track_identifiers.push_back(

{temp[3 * i], temp[3 * i + 1], temp[3 * i + 2]});

}

}

// Read meshes

read_meshes(root);

// Shannon Entropy mesh

if (check_for_node(root, "entropy_mesh")) {

int temp = std::stoi(get_node_value(root, "entropy_mesh"));

if (model::mesh_map.find(temp) == model::mesh_map.end()) {

fatal_error(fmt::format(

"Mesh {} specified for Shannon entropy does not exist.", temp));

}

auto* m =

dynamic_cast<RegularMesh*>(model::meshes[model::mesh_map.at(temp)].get());

if (!m)

fatal_error("Only regular meshes can be used as an entropy mesh");

simulation::entropy_mesh = m;

// Turn on Shannon entropy calculation

entropy_on = true;

} else if (check_for_node(root, "entropy")) {

fatal_error(

"Specifying a Shannon entropy mesh via the <entropy> element "

"is deprecated. Please create a mesh using <mesh> and then reference "

"it by specifying its ID in an <entropy_mesh> element.");

}

// Uniform fission source weighting mesh

if (check_for_node(root, "ufs_mesh")) {

auto temp = std::stoi(get_node_value(root, "ufs_mesh"));

if (model::mesh_map.find(temp) == model::mesh_map.end()) {

fatal_error(fmt::format("Mesh {} specified for uniform fission site "

"method does not exist.",

temp));

}

auto* m =

dynamic_cast<RegularMesh*>(model::meshes[model::mesh_map.at(temp)].get());

if (!m)

fatal_error("Only regular meshes can be used as a UFS mesh");

simulation::ufs_mesh = m;

// Turn on uniform fission source weighting

ufs_on = true;

} else if (check_for_node(root, "uniform_fs")) {

fatal_error(

"Specifying a UFS mesh via the <uniform_fs> element "

"is deprecated. Please create a mesh using <mesh> and then reference "

"it by specifying its ID in a <ufs_mesh> element.");

}

// Check if the user has specified to write state points

if (check_for_node(root, "state_point")) {

// Get pointer to state_point node

auto node_sp = root.child("state_point");

// Determine number of batches at which to store state points

if (check_for_node(node_sp, "batches")) {

// User gave specific batches to write state points

auto temp = get_node_array<int>(node_sp, "batches");

for (const auto& b : temp) {

statepoint_batch.insert(b);

}

} else {

// If neither were specified, write state point at last batch

statepoint_batch.insert(n_batches);

}

} else {

// If no <state_point> tag was present, by default write state point at

// last batch only

statepoint_batch.insert(n_batches);

}

// Check if the user has specified to write source points

if (check_for_node(root, "source_point")) {

// Get source_point node

xml_node node_sp = root.child("source_point");

// Determine batches at which to store source points

if (check_for_node(node_sp, "batches")) {

// User gave specific batches to write source points

auto temp = get_node_array<int>(node_sp, "batches");

for (const auto& b : temp) {

sourcepoint_batch.insert(b);

}

} else {

// If neither were specified, write source points with state points

sourcepoint_batch = statepoint_batch;

}

// Check if the user has specified to write binary source file

if (check_for_node(node_sp, "separate")) {

source_separate = get_node_value_bool(node_sp, "separate");

}

if (check_for_node(node_sp, "write")) {

source_write = get_node_value_bool(node_sp, "write");

}

if (check_for_node(node_sp, "overwrite_latest")) {

source_latest = get_node_value_bool(node_sp, "overwrite_latest");

source_separate = source_latest;

}

} else {

// If no <source_point> tag was present, by default we keep source bank in

// statepoint file and write it out at statepoints intervals

source_separate = false;

sourcepoint_batch = statepoint_batch;

}

// Check if the user has specified to write surface source

if (check_for_node(root, "surf_source_write")) {

surf_source_write = true;

// Get surface source write node

xml_node node_ssw = root.child("surf_source_write");

// Determine surface ids at which crossing particles are to be banked

if (check_for_node(node_ssw, "surface_ids")) {

auto temp = get_node_array<int>(node_ssw, "surface_ids");

for (const auto& b : temp) {

source_write_surf_id.insert(b);

}

}

// Get maximum number of particles to be banked per surface

if (check_for_node(node_ssw, "max_particles")) {

max_surface_particles =

std::stoll(get_node_value(node_ssw, "max_particles"));

}

}

// If source is not seperate and is to be written out in the statepoint file,

// make sure that the sourcepoint batch numbers are contained in the

// statepoint list

if (!source_separate) {

for (const auto& b : sourcepoint_batch) {

if (!contains(statepoint_batch, b)) {

fatal_error(

"Sourcepoint batches are not a subset of statepoint batches.");

}

}

}

// Check if the user has specified to not reduce tallies at the end of every

// batch

if (check_for_node(root, "no_reduce")) {

reduce_tallies = !get_node_value_bool(root, "no_reduce");

}

// Check if the user has specified to use confidence intervals for

// uncertainties rather than standard deviations

if (check_for_node(root, "confidence_intervals")) {

confidence_intervals = get_node_value_bool(root, "confidence_intervals");

}

// Check for output options

if (check_for_node(root, "output")) {

// Get pointer to output node

pugi::xml_node node_output = root.child("output");

// Check for summary option

if (check_for_node(node_output, "summary")) {

output_summary = get_node_value_bool(node_output, "summary");

}

// Check for ASCII tallies output option

if (check_for_node(node_output, "tallies")) {

output_tallies = get_node_value_bool(node_output, "tallies");

}

// Set output directory if a path has been specified

if (check_for_node(node_output, "path")) {

path_output = get_node_value(node_output, "path");

if (!ends_with(path_output, "/")) {

path_output += "/";

}

}

}

// Resonance scattering parameters

if (check_for_node(root, "resonance_scattering")) {

xml_node node_res_scat = root.child("resonance_scattering");

// See if resonance scattering is enabled

if (check_for_node(node_res_scat, "enable")) {

res_scat_on = get_node_value_bool(node_res_scat, "enable");

} else {

res_scat_on = true;

}

// Determine what method is used

if (check_for_node(node_res_scat, "method")) {

auto temp = get_node_value(node_res_scat, "method", true, true);

if (temp == "rvs") {

res_scat_method = ResScatMethod::rvs;

} else if (temp == "dbrc") {

res_scat_method = ResScatMethod::dbrc;

} else {

fatal_error(

"Unrecognized resonance elastic scattering method: " + temp + ".");

}

}

// Minimum energy for resonance scattering

if (check_for_node(node_res_scat, "energy_min")) {

res_scat_energy_min =

std::stod(get_node_value(node_res_scat, "energy_min"));

}

if (res_scat_energy_min < 0.0) {

fatal_error("Lower resonance scattering energy bound is negative");

}

// Maximum energy for resonance scattering

if (check_for_node(node_res_scat, "energy_max")) {

res_scat_energy_max =

std::stod(get_node_value(node_res_scat, "energy_max"));

}

if (res_scat_energy_max < res_scat_energy_min) {

fatal_error("Upper resonance scattering energy bound is below the "

"lower resonance scattering energy bound.");

}

// Get resonance scattering nuclides

if (check_for_node(node_res_scat, "nuclides")) {

res_scat_nuclides =

get_node_array<std::string>(node_res_scat, "nuclides");

}

}

// Get volume calculations

for (pugi::xml_node node_vol : root.children("volume_calc")) {

model::volume_calcs.emplace_back(node_vol);

}

// Get temperature settings

if (check_for_node(root, "temperature_default")) {

temperature_default =

std::stod(get_node_value(root, "temperature_default"));

}

if (check_for_node(root, "temperature_method")) {

auto temp = get_node_value(root, "temperature_method", true, true);

if (temp == "nearest") {

temperature_method = TemperatureMethod::NEAREST;

} else if (temp == "interpolation") {

temperature_method = TemperatureMethod::INTERPOLATION;

} else {

fatal_error("Unknown temperature method: " + temp);

}

}

if (check_for_node(root, "temperature_tolerance")) {

temperature_tolerance =

std::stod(get_node_value(root, "temperature_tolerance"));

}

if (check_for_node(root, "temperature_multipole")) {

temperature_multipole = get_node_value_bool(root, "temperature_multipole");

// Multipole currently doesn't work with photon transport

if (temperature_multipole && photon_transport) {

fatal_error("Multipole data cannot currently be used in conjunction with "

"photon transport.");

}

}

if (check_for_node(root, "temperature_range")) {

auto range = get_node_array<double>(root, "temperature_range");

temperature_range[0] = range.at(0);

temperature_range[1] = range.at(1);

}

// Check for tabular_legendre options

if (check_for_node(root, "tabular_legendre")) {

// Get pointer to tabular_legendre node

xml_node node_tab_leg = root.child("tabular_legendre");

// Check for enable option

if (check_for_node(node_tab_leg, "enable")) {

legendre_to_tabular = get_node_value_bool(node_tab_leg, "enable");

}

// Check for the number of points

if (check_for_node(node_tab_leg, "num_points")) {

legendre_to_tabular_points =

std::stoi(get_node_value(node_tab_leg, "num_points"));

if (legendre_to_tabular_points <= 1 && !run_CE) {

fatal_error(

"The 'num_points' subelement/attribute of the "

"<tabular_legendre> element must contain a value greater than 1");

}

}

}

// Check whether create fission sites

if (run_mode == RunMode::FIXED_SOURCE) {

if (check_for_node(root, "create_fission_neutrons")) {

create_fission_neutrons =

get_node_value_bool(root, "create_fission_neutrons");

}

}

// Check whether to scale fission photon yields

if (check_for_node(root, "delayed_photon_scaling")) {

delayed_photon_scaling =

get_node_value_bool(root, "delayed_photon_scaling");

}

// Check whether to use event-based parallelism

if (check_for_node(root, "event_based")) {

event_based = get_node_value_bool(root, "event_based");

}

// Check whether material cell offsets should be generated

if (check_for_node(root, "material_cell_offsets")) {

material_cell_offsets = get_node_value_bool(root, "material_cell_offsets");

}

// Weight window information

for (pugi::xml_node node_ww : root.children("weight_windows")) {

variance_reduction::weight_windows.emplace_back(

std::make_unique<WeightWindows>(node_ww));

// Enable weight windows by default if one or more are present

settings::weight_windows_on = true;

}

if (check_for_node(root, "weight_windows_on")) {

weight_windows_on = get_node_value_bool(root, "weight_windows_on");

}

if (check_for_node(root, "max_splits")) {

settings::max_splits = std::stoi(get_node_value(root, "max_splits"));

}

if (check_for_node(root, "max_tracks")) {

settings::max_tracks = std::stoi(get_node_value(root, "max_tracks"));

}

}

void free_memory_settings()

{

settings::statepoint_batch.clear();

settings::sourcepoint_batch.clear();

settings::source_write_surf_id.clear();

settings::res_scat_nuclides.clear();

}

//==============================================================================

// C API functions

//==============================================================================

extern "C" int openmc_set_n_batches(

int32_t n_batches, bool set_max_batches, bool add_statepoint_batch)

{

if (settings::n_inactive >= n_batches) {

set_errmsg("Number of active batches must be greater than zero.");

return OPENMC_E_INVALID_ARGUMENT;

}

if (simulation::current_batch >= n_batches) {

set_errmsg("Number of batches must be greater than current batch.");

return OPENMC_E_INVALID_ARGUMENT;

}

if (!settings::trigger_on) {

// Set n_batches and n_max_batches to same value

settings::n_batches = n_batches;

settings::n_max_batches = n_batches;

} else {

// Set n_batches and n_max_batches based on value of set_max_batches

if (set_max_batches) {

settings::n_max_batches = n_batches;

} else {

settings::n_batches = n_batches;

}

}

// Update size of k_generation and entropy

int m = settings::n_max_batches * settings::gen_per_batch;

simulation::k_generation.reserve(m);

simulation::entropy.reserve(m);

// Add value of n_batches to statepoint_batch

if (add_statepoint_batch &&

!(contains(settings::statepoint_batch, n_batches)))

settings::statepoint_batch.insert(n_batches);

return 0;

}

extern "C" int openmc_get_n_batches(int* n_batches, bool get_max_batches)

{

*n_batches = get_max_batches ? settings::n_max_batches : settings::n_batches;

return 0;

}

} // namespace openmc