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Introduce data::thermal_scatt, remove Fortran implementation of nuclide xs

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This commit is contained in:
Paul Romano 2018-12-20 16:00:46 -06:00
parent 8be229ee62
commit bc13a65711
10 changed files with 68 additions and 430 deletions
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2
include/openmc/physics.h
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@ -58,7 +58,7 @@ void scatter(Particle*, int i_nuclide, int i_nuc_mat);
void elastic_scatter(int i_nuclide, const Reaction* rx, double kT, double* E,
double* uvw, double* mu_lab, double* wgt);
extern "C" void sab_scatter(int i_nuclide, int i_sab, double* E,
void sab_scatter(int i_nuclide, int i_sab, double* E,
double* uvw, double* mu);
//! samples the target velocity. The constant cross section free gas model is

19
include/openmc/thermal.h
View file

@ -2,6 +2,7 @@
#define OPENMC_THERMAL_H
#include <cstddef>
#include <memory>
#include <string>
#include <vector>
@ -27,6 +28,16 @@ constexpr int SAB_SECONDARY_CONT {2}; // Continuous, linear-linear interpolati
constexpr int SAB_ELASTIC_INCOHERENT {3}; // Incoherent elastic scattering
constexpr int SAB_ELASTIC_COHERENT {4}; // Coherent elastic scattering (Bragg edges)
//==============================================================================
// Global variables
//==============================================================================
class ThermalScattering;
namespace data {
extern std::vector<std::unique_ptr<ThermalScattering>> thermal_scatt;
}
//==============================================================================
//! Secondary angle-energy data for thermal neutron scattering at a single
//! temperature
@ -37,7 +48,7 @@ public:
ThermalData(hid_t group, int secondary_mode);
// Sample an outgoing energy and angle
void sample(const NuclideMicroXS* micro_xs, double E_in,
void sample(const NuclideMicroXS& micro_xs, double E_in,
double* E_out, double* mu);
private:
//! Secondary energy/angle distributions for inelastic thermal scattering
@ -112,7 +123,7 @@ public:
bool has_nuclide(const char* name) const;
// Sample an outgoing energy and angle
void sample(const NuclideMicroXS* micro_xs, double E_in,
void sample(const NuclideMicroXS& micro_xs, double E_in,
double* E_out, double* mu);
double threshold() const { return data_[0].threshold_inelastic_; }
@ -133,12 +144,8 @@ public:
extern "C" {
ThermalScattering* sab_from_hdf5(hid_t group, const double* temperature,
int n, int method, double tolerance, const double* minmax);
void sab_calculate_xs(ThermalScattering* data, double E, double sqrtkT,
int* i_temp, double* elastic, double* inelastic);
void sab_free(ThermalScattering* data);
bool sab_has_nuclide(ThermalScattering* data, const char* name);
void sab_sample(ThermalScattering* data, const NuclideMicroXS* micro_xs,
double E_in, double* E_out, double* mu);
double sab_threshold(ThermalScattering* data);
}