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Merge pull request #1065 from nelsonag/xtensor_mg
Use the xtensor library in the multi-group solver
This commit is contained in:
Paul Romano
GitHub
commit
74b7e53bbb
36 changed files with 1350 additions and 1470 deletions
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@ -11,16 +11,9 @@
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namespace openmc {
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// TODO: Replace with xtensor/other library?
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typedef std::vector<double> double_1dvec;
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typedef std::vector<std::vector<double> > double_2dvec;
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typedef std::vector<std::vector<std::vector<double> > > double_3dvec;
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typedef std::vector<std::vector<std::vector<std::vector<double> > > > double_4dvec;
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typedef std::vector<std::vector<std::vector<std::vector<std::vector<double> > > > > double_5dvec;
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typedef std::vector<std::vector<std::vector<std::vector<std::vector<std::vector<double> > > > > > double_6dvec;
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typedef std::vector<int> int_1dvec;
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typedef std::vector<std::vector<int> > int_2dvec;
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typedef std::vector<std::vector<std::vector<int> > > int_3dvec;
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using double_2dvec = std::vector<std::vector<double>>;
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using double_3dvec = std::vector<std::vector<std::vector<double>>>;
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using double_4dvec = std::vector<std::vector<std::vector<std::vector<double>>>>;
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// ============================================================================
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// VERSIONING NUMBERS
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@ -14,6 +14,7 @@
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#include "xtensor/xarray.hpp"
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#include "openmc/position.h"
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#include "openmc/error.h"
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namespace openmc {
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@ -46,39 +47,6 @@ hid_t file_open(const std::string& filename, char mode, bool parallel=false);
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void write_string(hid_t group_id, const char* name, const std::string& buffer,
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bool indep);
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void
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read_nd_vector(hid_t obj_id, const char* name, std::vector<double>& result,
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bool must_have = false);
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void
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read_nd_vector(hid_t obj_id, const char* name,
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std::vector<std::vector<double> >& result,
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bool must_have = false);
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void
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read_nd_vector(hid_t obj_id, const char* name,
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std::vector<std::vector<int> >& result, bool must_have = false);
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void
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read_nd_vector(hid_t obj_id, const char* name,
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std::vector<std::vector<std::vector<double> > >& result,
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bool must_have = false);
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void
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read_nd_vector(hid_t obj_id, const char* name,
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std::vector<std::vector<std::vector<int> > >& result,
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bool must_have = false);
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void
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read_nd_vector(hid_t obj_id, const char* name,
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std::vector<std::vector<std::vector<std::vector<double> > > >& result,
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bool must_have = false);
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void
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read_nd_vector(hid_t obj_id, const char* name,
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std::vector<std::vector<std::vector<std::vector<std::vector<double> > > > >& result,
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bool must_have = false);
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std::vector<hsize_t> attribute_shape(hid_t obj_id, const char* name);
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std::vector<std::string> dataset_names(hid_t group_id);
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void ensure_exists(hid_t group_id, const char* name);
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@ -236,7 +204,7 @@ read_attribute(hid_t obj_id, const char* name, std::vector<std::string>& vec)
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}
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//==============================================================================
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// Templates/overloads for read_dataset
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// Templates/overloads for read_dataset and related methods
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//==============================================================================
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template<typename T>
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@ -294,6 +262,40 @@ void read_dataset(hid_t obj_id, const char* name, xt::xarray<T>& arr, bool indep
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close_dataset(dset);
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}
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template <typename T, std::size_t N>
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void read_dataset_as_shape(hid_t obj_id, const char* name,
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xt::xtensor<T, N>& arr, bool indep=false)
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{
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hid_t dset = open_dataset(obj_id, name);
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// Allocate new array to read data into
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std::size_t size = 1;
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for (const auto x : arr.shape())
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size *= x;
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T* buffer = new T[size];
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// Read data from attribute
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read_dataset(dset, nullptr, H5TypeMap<T>::type_id, buffer, indep);
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// Adapt into xarray
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arr = xt::adapt(buffer, size, xt::acquire_ownership(), arr.shape());
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close_dataset(dset);
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}
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template <typename T, std::size_t N>
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void read_nd_vector(hid_t obj_id, const char* name, xt::xtensor<T, N>& result,
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bool must_have=false)
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{
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if (object_exists(obj_id, name)) {
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read_dataset_as_shape(obj_id, name, result, true);
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} else if (must_have) {
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fatal_error(std::string("Must provide " + std::string(name) + "!"));
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}
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}
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//==============================================================================
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// Templates/overloads for write_attribute
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//==============================================================================
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@ -7,6 +7,8 @@
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#include <string>
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#include <vector>
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#include "xtensor/xtensor.hpp"
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#include "openmc/constants.h"
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#include "openmc/hdf5_interface.h"
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#include "openmc/xsdata.h"
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@ -35,7 +37,7 @@ struct CacheData {
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class Mgxs {
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private:
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double_1dvec kTs; // temperature in eV (k * T)
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xt::xtensor<double, 1> kTs; // temperature in eV (k * T)
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int scatter_format; // flag for if this is legendre, histogram, or tabular
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int num_delayed_groups; // number of delayed neutron groups
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int num_groups; // number of energy groups
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@ -44,8 +46,8 @@ class Mgxs {
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bool is_isotropic; // used to skip search for angle indices if isotropic
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int n_pol;
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int n_azi;
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double_1dvec polar;
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double_1dvec azimuthal;
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std::vector<double> polar;
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std::vector<double> azimuthal;
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//! \brief Initializes the Mgxs object metadata
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//!
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@ -62,10 +64,10 @@ class Mgxs {
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//! @param in_polar Polar angle grid.
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//! @param in_azimuthal Azimuthal angle grid.
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void
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init(const std::string& in_name, double in_awr, const double_1dvec& in_kTs,
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init(const std::string& in_name, double in_awr, const std::vector<double>& in_kTs,
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bool in_fissionable, int in_scatter_format, int in_num_groups,
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int in_num_delayed_groups, bool in_is_isotropic,
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const double_1dvec& in_polar, const double_1dvec& in_azimuthal);
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const std::vector<double>& in_polar, const std::vector<double>& in_azimuthal);
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//! \brief Initializes the Mgxs object metadata from the HDF5 file
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//!
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@ -80,8 +82,8 @@ class Mgxs {
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//! @param method Method of choosing nearest temperatures.
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void
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metadata_from_hdf5(hid_t xs_id, int in_num_groups,
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int in_num_delayed_groups, const double_1dvec& temperature,
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double tolerance, int_1dvec& temps_to_read, int& order_dim,
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int in_num_delayed_groups, const std::vector<double>& temperature,
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double tolerance, std::vector<int>& temps_to_read, int& order_dim,
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int& method);
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//! \brief Performs the actual act of combining the microscopic data for a
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@ -93,8 +95,8 @@ class Mgxs {
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//! corresponds to the temperature of interest.
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//! @param this_t The temperature index of the macroscopic object.
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void
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combine(const std::vector<Mgxs*>& micros, const double_1dvec& scalars,
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const int_1dvec& micro_ts, int this_t);
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combine(const std::vector<Mgxs*>& micros, const std::vector<double>& scalars,
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const std::vector<int>& micro_ts, int this_t);
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//! \brief Checks to see if this and that are able to be combined
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//!
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@ -128,7 +130,7 @@ class Mgxs {
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//! provides the number of points to use in the tabular representation.
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//! @param method Method of choosing nearest temperatures.
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Mgxs(hid_t xs_id, int energy_groups,
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int delayed_groups, const double_1dvec& temperature, double tolerance,
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int delayed_groups, const std::vector<double>& temperature, double tolerance,
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int max_order, bool legendre_to_tabular,
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int legendre_to_tabular_points, int& method);
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@ -141,8 +143,8 @@ class Mgxs {
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//! @param atom_densities Atom densities of those microscopic quantities.
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//! @param tolerance Tolerance of temperature selection method.
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//! @param method Method of choosing nearest temperatures.
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Mgxs(const std::string& in_name, const double_1dvec& mat_kTs,
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const std::vector<Mgxs*>& micros, const double_1dvec& atom_densities,
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Mgxs(const std::string& in_name, const std::vector<double>& mat_kTs,
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const std::vector<Mgxs*>& micros, const std::vector<double>& atom_densities,
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double tolerance, int& method);
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//! \brief Provides a cross section value given certain parameters
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@ -6,6 +6,8 @@
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#include <vector>
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#include "xtensor/xtensor.hpp"
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#include "openmc/constants.h"
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namespace openmc {
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@ -25,23 +27,25 @@ class ScattData {
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protected:
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//! \brief Initializes the attributes of the base class.
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void
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base_init(int order, const int_1dvec& in_gmin, const int_1dvec& in_gmax,
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const double_2dvec& in_energy, const double_2dvec& in_mult);
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base_init(int order, const xt::xtensor<int, 1>& in_gmin,
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const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_energy,
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const double_2dvec& in_mult);
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//! \brief Combines microscopic ScattDatas into a macroscopic one.
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void
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base_combine(int max_order, const std::vector<ScattData*>& those_scatts,
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const double_1dvec& scalars, int_1dvec& in_gmin, int_1dvec& in_gmax,
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double_2dvec& sparse_mult, double_3dvec& sparse_scatter);
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base_combine(size_t max_order, const std::vector<ScattData*>& those_scatts,
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const std::vector<double>& scalars, xt::xtensor<int, 1>& in_gmin,
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xt::xtensor<int, 1>& in_gmax, double_2dvec& sparse_mult,
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double_3dvec& sparse_scatter);
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public:
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double_2dvec energy; // Normalized p0 matrix for sampling Eout
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double_2dvec mult; // nu-scatter multiplication (nu-scatt/scatt)
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double_3dvec dist; // Angular distribution
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int_1dvec gmin; // minimum outgoing group
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int_1dvec gmax; // maximum outgoing group
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double_1dvec scattxs; // Isotropic Sigma_{s,g_{in}}
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double_2dvec energy; // Normalized p0 matrix for sampling Eout
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double_2dvec mult; // nu-scatter multiplication (nu-scatt/scatt)
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double_3dvec dist; // Angular distribution
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xt::xtensor<double, 1> gmin; // minimum outgoing group
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xt::xtensor<double, 1> gmax; // maximum outgoing group
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xt::xtensor<double, 1> scattxs; // Isotropic Sigma_{s,g_{in}}
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//! \brief Calculates the value of normalized f(mu).
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//!
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@ -72,7 +76,7 @@ class ScattData {
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//! @param in_mult Input sparse multiplicity matrix
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//! @param coeffs Input sparse scattering matrix
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virtual void
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init(const int_1dvec& in_gmin, const int_1dvec& in_gmax,
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init(const xt::xtensor<int, 1>& in_gmin, const xt::xtensor<int, 1>& in_gmax,
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const double_2dvec& in_mult, const double_3dvec& coeffs) = 0;
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//! \brief Combines the microscopic data.
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@ -81,7 +85,7 @@ class ScattData {
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//! @param scalars Scalars to multiply the microscopic data by.
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virtual void
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combine(const std::vector<ScattData*>& those_scatts,
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const double_1dvec& scalars) = 0;
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const std::vector<double>& scalars) = 0;
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//! \brief Getter for the dimensionality of the scattering order.
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//!
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@ -89,7 +93,7 @@ class ScattData {
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//! of points, and for Histogram this is the number of bins.
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//!
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//! @return The order.
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virtual int
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virtual size_t
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get_order() = 0;
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//! \brief Builds a dense scattering matrix from the constituent parts
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@ -97,8 +101,8 @@ class ScattData {
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//! @param max_order If Legendre this is the maximum value of "n" in "Pn"
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//! requested; ignored otherwise.
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//! @return The dense scattering matrix.
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virtual double_3dvec
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get_matrix(int max_order) = 0;
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virtual xt::xtensor<double, 3>
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get_matrix(size_t max_order) = 0;
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//! \brief Samples the outgoing energy from the ScattData info.
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//!
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@ -142,12 +146,12 @@ class ScattDataLegendre: public ScattData {
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public:
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void
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init(const int_1dvec& in_gmin, const int_1dvec& in_gmax,
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init(const xt::xtensor<int, 1>& in_gmin, const xt::xtensor<int, 1>& in_gmax,
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const double_2dvec& in_mult, const double_3dvec& coeffs);
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void
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combine(const std::vector<ScattData*>& those_scatts,
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const double_1dvec& scalars);
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const std::vector<double>& scalars);
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//! \brief Find the maximal value of the angular distribution to use as a
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// bounding box with rejection sampling.
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@ -160,11 +164,11 @@ class ScattDataLegendre: public ScattData {
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void
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sample(int gin, int& gout, double& mu, double& wgt);
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int
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size_t
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get_order() {return dist[0][0].size() - 1;};
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double_3dvec
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get_matrix(int max_order);
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xt::xtensor<double, 3>
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get_matrix(size_t max_order);
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};
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//==============================================================================
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@ -176,19 +180,19 @@ class ScattDataHistogram: public ScattData {
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protected:
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double_1dvec mu; // Angle distribution mu bin boundaries
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double dmu; // Quick storage of the spacing between the mu bin points
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double_3dvec fmu; // The angular distribution histogram
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xt::xtensor<double, 1> mu; // Angle distribution mu bin boundaries
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double dmu; // Quick storage of the mu spacing
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double_3dvec fmu; // The angular distribution histogram
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public:
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void
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init(const int_1dvec& in_gmin, const int_1dvec& in_gmax,
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init(const xt::xtensor<int, 1>& in_gmin, const xt::xtensor<int, 1>& in_gmax,
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const double_2dvec& in_mult, const double_3dvec& coeffs);
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void
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combine(const std::vector<ScattData*>& those_scatts,
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const double_1dvec& scalars);
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const std::vector<double>& scalars);
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double
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calc_f(int gin, int gout, double mu);
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@ -196,11 +200,11 @@ class ScattDataHistogram: public ScattData {
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void
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sample(int gin, int& gout, double& mu, double& wgt);
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int
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size_t
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get_order() {return dist[0][0].size();};
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double_3dvec
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get_matrix(int max_order);
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xt::xtensor<double, 3>
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get_matrix(size_t max_order);
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};
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//==============================================================================
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@ -212,9 +216,9 @@ class ScattDataTabular: public ScattData {
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protected:
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double_1dvec mu; // Angle distribution mu grid points
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double dmu; // Quick storage of the spacing between the mu points
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double_3dvec fmu; // The angular distribution function
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xt::xtensor<double, 1> mu; // Angle distribution mu grid points
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double dmu; // Quick storage of the mu spacing
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double_3dvec fmu; // The angular distribution function
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// Friend convert_legendre_to_tabular so it has access to protected
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// parameters
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@ -225,12 +229,12 @@ class ScattDataTabular: public ScattData {
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public:
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void
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init(const int_1dvec& in_gmin, const int_1dvec& in_gmax,
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init(const xt::xtensor<int, 1>& in_gmin, const xt::xtensor<int, 1>& in_gmax,
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const double_2dvec& in_mult, const double_3dvec& coeffs);
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void
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combine(const std::vector<ScattData*>& those_scatts,
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const double_1dvec& scalars);
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const std::vector<double>& scalars);
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double
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calc_f(int gin, int gout, double mu);
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@ -238,10 +242,11 @@ class ScattDataTabular: public ScattData {
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void
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sample(int gin, int& gout, double& mu, double& wgt);
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int
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size_t
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get_order() {return dist[0][0].size();};
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double_3dvec get_matrix(int max_order);
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xt::xtensor<double, 3>
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get_matrix(size_t max_order);
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};
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//==============================================================================
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@ -7,6 +7,8 @@
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#include <memory>
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#include <vector>
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#include "xtensor/xtensor.hpp"
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#include "openmc/hdf5_interface.h"
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#include "openmc/scattdata.h"
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@ -22,41 +24,77 @@ class XsData {
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private:
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//! \brief Reads scattering data from the HDF5 file
|
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void
|
||||
scatter_from_hdf5(hid_t xsdata_grp, int n_pol, int n_azi, int energy_groups,
|
||||
scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang, size_t energy_groups,
|
||||
int scatter_format, int final_scatter_format, int order_data,
|
||||
int max_order, int legendre_to_tabular_points);
|
||||
|
||||
//! \brief Reads fission data from the HDF5 file
|
||||
void
|
||||
fission_from_hdf5(hid_t xsdata_grp, int n_pol, int n_azi, int energy_groups,
|
||||
int delayed_groups, bool is_isotropic);
|
||||
fission_from_hdf5(hid_t xsdata_grp, size_t n_ang, size_t energy_groups,
|
||||
size_t delayed_groups, bool is_isotropic);
|
||||
|
||||
//! \brief Reads fission data formatted as chi and nu-fission vectors from
|
||||
// the HDF5 file when beta is provided.
|
||||
void
|
||||
fission_vector_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
|
||||
size_t energy_groups, size_t delayed_groups, bool is_isotropic);
|
||||
|
||||
//! \brief Reads fission data formatted as chi and nu-fission vectors from
|
||||
// the HDF5 file when beta is not provided.
|
||||
void
|
||||
fission_vector_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
|
||||
size_t energy_groups, size_t delayed_groups);
|
||||
|
||||
//! \brief Reads fission data formatted as chi and nu-fission vectors from
|
||||
// the HDF5 file when no delayed data is provided.
|
||||
void
|
||||
fission_vector_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang,
|
||||
size_t energy_groups);
|
||||
|
||||
//! \brief Reads fission data formatted as a nu-fission matrix from
|
||||
// the HDF5 file when beta is provided.
|
||||
void
|
||||
fission_matrix_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
|
||||
size_t energy_groups, size_t delayed_groups, bool is_isotropic);
|
||||
|
||||
//! \brief Reads fission data formatted as a nu-fission matrix from
|
||||
// the HDF5 file when beta is not provided.
|
||||
void
|
||||
fission_matrix_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
|
||||
size_t energy_groups, size_t delayed_groups);
|
||||
|
||||
//! \brief Reads fission data formatted as a nu-fission matrix from
|
||||
// the HDF5 file when no delayed data is provided.
|
||||
void
|
||||
fission_matrix_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang,
|
||||
size_t energy_groups);
|
||||
|
||||
public:
|
||||
|
||||
// The following quantities have the following dimensions:
|
||||
// [angle][incoming group]
|
||||
double_2dvec total;
|
||||
double_2dvec absorption;
|
||||
double_2dvec nu_fission;
|
||||
double_2dvec prompt_nu_fission;
|
||||
double_2dvec kappa_fission;
|
||||
double_2dvec fission;
|
||||
double_2dvec inverse_velocity;
|
||||
xt::xtensor<double, 2> total;
|
||||
xt::xtensor<double, 2> absorption;
|
||||
xt::xtensor<double, 2> nu_fission;
|
||||
xt::xtensor<double, 2> prompt_nu_fission;
|
||||
xt::xtensor<double, 2> kappa_fission;
|
||||
xt::xtensor<double, 2> fission;
|
||||
xt::xtensor<double, 2> inverse_velocity;
|
||||
|
||||
// decay_rate has the following dimensions:
|
||||
// [angle][delayed group]
|
||||
double_2dvec decay_rate;
|
||||
xt::xtensor<double, 2> decay_rate;
|
||||
// delayed_nu_fission has the following dimensions:
|
||||
// [angle][incoming group][delayed group]
|
||||
double_3dvec delayed_nu_fission;
|
||||
xt::xtensor<double, 3> delayed_nu_fission;
|
||||
// chi_prompt has the following dimensions:
|
||||
// [angle][incoming group][outgoing group]
|
||||
double_3dvec chi_prompt;
|
||||
xt::xtensor<double, 3> chi_prompt;
|
||||
// chi_delayed has the following dimensions:
|
||||
// [angle][incoming group][outgoing group][delayed group]
|
||||
double_4dvec chi_delayed;
|
||||
xt::xtensor<double, 4> chi_delayed;
|
||||
// scatter has the following dimensions: [angle]
|
||||
std::vector<std::shared_ptr<ScattData> > scatter;
|
||||
std::vector<std::shared_ptr<ScattData>> scatter;
|
||||
|
||||
XsData() = default;
|
||||
|
||||
|
|
@ -68,7 +106,7 @@ class XsData {
|
|||
//! @param scatter_format The scattering representation of the file.
|
||||
//! @param n_pol Number of polar angles.
|
||||
//! @param n_azi Number of azimuthal angles.
|
||||
XsData(int num_groups, int num_delayed_groups, bool fissionable,
|
||||
XsData(size_t num_groups, size_t num_delayed_groups, bool fissionable,
|
||||
int scatter_format, int n_pol, int n_azi);
|
||||
|
||||
//! \brief Loads the XsData object from the HDF5 file
|
||||
|
|
@ -101,7 +139,7 @@ class XsData {
|
|||
//! @param micros Microscopic objects to combine.
|
||||
//! @param scalars Scalars to multiply the microscopic data by.
|
||||
void
|
||||
combine(const std::vector<XsData*>& those_xs, const double_1dvec& scalars);
|
||||
combine(const std::vector<XsData*>& those_xs, const std::vector<double>& scalars);
|
||||
|
||||
//! \brief Checks to see if this and that are able to be combined
|
||||
//!
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue