Source code for triqs.gf.meshes_desc

from cpp2py.wrap_generator import *
import re

module = module_(full_name = "triqs.gf.meshes", doc = "All the meshes", app_name="triqs")

module.add_imports("triqs.lattice.lattice_tools")

module.add_include("<triqs/mesh.hpp>")

module.add_include("<cpp2py/converters/string.hpp>")
module.add_include("<cpp2py/converters/vector.hpp>")
module.add_include("<cpp2py/converters/function.hpp>")
module.add_include("<cpp2py/converters/optional.hpp>")
module.add_include("<cpp2py/converters/pair.hpp>")

module.add_include("<triqs/cpp2py_converters.hpp>")

module.add_using("namespace triqs::arrays")
module.add_using("namespace triqs::mesh")
module.add_preamble("""
""")

## --------------------------------------------------
##                    WARNING
# The names of the Meshes MUST be MeshXXX, with XXX = ImFreq, ...
# where XXX is the name appearing in hdf5 in multivar mesh (gf/h5.hpp, gf_h5_name trait).
## --------------------------------------------------


########################
##   enums
########################

module.add_enum(c_name = "triqs::mesh::imfreq::option",
         c_namespace = "",
         values = ["imfreq::option::all_frequencies","imfreq::option::positive_frequencies_only"])

########################
##   Mesh generic
########################

[docs] def make_mesh(py_type, c_tag, doc="", with_values=True): m = class_( py_type = py_type, c_type = "%s"%c_tag, c_type_absolute = "triqs::mesh::%s"%c_tag, hdf5 = True, serializable= "tuple", is_printable= True, comparisons = "== !=", doc = doc ) m.add_method(f"{c_tag}::data_index_t to_data_index({c_tag}::index_t index)", doc = "Function to convert an index to a data index") m.add_method(f"{c_tag}::index_t to_index({c_tag}::data_index_t data_index)", doc = "Function to convert a data index to an index") m.add_getitem(signature = f"{c_tag}::mesh_point_t operator[]({c_tag}::data_index_t data_index)", doc = "Get a mesh-point given the data index") m.add_call(signature = f"{c_tag}::mesh_point_t operator()({c_tag}::index_t index)", calling_pattern = " auto result = self_c(index)", doc = "Get a mesh-point given the index") m.add_len(calling_pattern = "int result = self_c.size()", doc = "Size of the mesh") m.add_property(name = "mesh_hash", getter = cfunction(calling_pattern="uint64_t result = self_c.mesh_hash()", signature = "uint64_t()", doc = "The hash encoding the mesh configuration")) m.add_iterator() if with_values: m.add_method("PyObject * values()", calling_pattern = """ static auto cls = pyref::get_class("triqs.gf", "MeshValueGenerator", /* raise_exception */ true); pyref args = PyTuple_Pack(1, self); auto result = PyObject_CallObject(cls, args); """, doc = "A numpy array of all the values of the mesh points") m.add_method(f"{c_tag}::value_t to_value({c_tag}::index_t index)", doc = "index -> value") m.add_method_copy() m.add_method_copy_from() return m
######################## ## MeshImFreq ######################## m = make_mesh( py_type = "MeshImFreq", c_tag = "imfreq", doc="""Mesh of Matsubara frequencies Parameters ---------- beta : float Inverse temperature statistic : str Statistic, 'Fermion' or 'Boson' n_iw : int [default=1025] Number of positive Matsubara frequencies """) m.add_constructor(signature = "(double beta, statistic_enum S, int n_iw=1025)") m.add_constructor(signature = "(double beta, statistic_enum S, int n_max)") m.add_constructor(signature = "(double beta, statistic_enum statistic, int n_iw)") m.add_method("""int last_index()""") m.add_method("""int first_index()""") m.add_method("""bool positive_only()""") m.add_method("""void set_tail_fit_parameters(double tail_fraction, int n_tail_max = 30, std::optional<int> expansion_order = {})""") m.add_property(name = "beta", getter = cfunction(calling_pattern="double result = self_c.beta()", signature = "double()", doc = "Inverse temperature")) m.add_property(name = "statistic", getter = cfunction(calling_pattern="statistic_enum result = self_c.statistic()", signature = "statistic_enum()"), doc = "Statistic") module.add_class(m) ######################## ## MeshDLRImFreq ######################## m = make_mesh( py_type = "MeshDLRImFreq", c_tag = "dlr_imfreq", doc = """Mesh of DLR imaginary times The MeshPoint for a given linear_index `i` can be otained through `m[i]` and for an index `n` through `m(n)` The associated Green function does not allow for evaluation on arbitrary Matsubara frequencies. For this use the Green function on the associated MeshDLR. Parameters ---------- beta : float Inverse temperature statistic : str Statistic, 'Fermion' or 'Boson' w_max: float DLR energy cutoff, same as Lambda / beta eps: float Representation accuracy """) m.add_constructor(signature = "(double beta, statistic_enum statistic, double w_max, double eps)") m.add_property(name = "beta", getter = cfunction(calling_pattern="double result = self_c.beta()", signature = "double()", doc = "Inverse temperature")) m.add_property(name = "statistic", getter = cfunction(calling_pattern="statistic_enum result = self_c.statistic()", signature = "statistic_enum()"), doc = "Statistic") m.add_property(name = "w_max", getter = cfunction(calling_pattern="double result = self_c.w_max()", signature = "double()", doc = "DLR energy cutoff")) m.add_property(name = "eps", getter = cfunction(calling_pattern="double result = self_c.eps()", signature = "double()", doc = "Representation accuracy")) module.add_class(m) ######################## ## MeshImTime ######################## m = make_mesh(py_type = "MeshImTime", c_tag = "imtime", doc = """Mesh of imaginary times Mesh-points are evenly distributed in the interval [0,beta] including points at both edges. Parameters ---------- beta : float Inverse temperature statistic : str Statistic, 'Fermion' or 'Boson' n_tau : int Number of mesh-points """) m.add_constructor(signature = "(double beta, statistic_enum S, int n_tau)") m.add_constructor(signature = "(double beta, statistic_enum S, int n_max)") m.add_constructor(signature = "(double beta, statistic_enum statistic, int n_tau)") m.add_property(name = "beta", getter = cfunction(calling_pattern="double result = self_c.beta()", signature = "double()", doc = "Inverse temperature")) m.add_property(name = "statistic", getter = cfunction(calling_pattern="statistic_enum result = self_c.statistic()", signature = "statistic_enum()"), doc = "Statistic") module.add_class(m) ######################## ## MeshDLRImTime ######################## m = make_mesh(py_type = "MeshDLRImTime", c_tag = "dlr_imtime", doc = """Mesh of DLR imaginary times The MeshPoint for a given linear_index `i` can be otained through `m[i]` and for an index `n` through `m(n)` The associated Green function does not allow for evaluation on arbitrary tau-points. For this use the Green function on the associated MeshDLR Parameters ---------- beta : float Inverse temperature statistic : str Statistic, 'Fermion' or 'Boson' w_max: float DLR energy cutoff, same as Lambda / beta eps: float Representation accuracy """) m.add_constructor(signature = "(double beta, statistic_enum statistic, double w_max, double eps)") m.add_property(name = "beta", getter = cfunction(calling_pattern="double result = self_c.beta()", signature = "double()", doc = "Inverse temperature")) m.add_property(name = "statistic", getter = cfunction(calling_pattern="statistic_enum result = self_c.statistic()", signature = "statistic_enum()"), doc = "Statistic") m.add_property(name = "w_max", getter = cfunction(calling_pattern="double result = self_c.w_max()", signature = "double()", doc = "DLR energy cutoff")) m.add_property(name = "eps", getter = cfunction(calling_pattern="double result = self_c.eps()", signature = "double()", doc = "Representation accuracy")) module.add_class(m) ######################## ## MeshDLR ######################## m = make_mesh(py_type = "MeshDLR", c_tag = "dlr", doc = """Mesh of DLR coefficients The MeshPoint for a given linear_index `i` can be otained through `m[i]` and for an index `n` through `m(n)` The associated Green function allows for evaluation on both arbitrary Matsubara frequencies and tau-points. Parameters ---------- beta : float Inverse temperature statistic : str Statistic, 'Fermion' or 'Boson' w_max: float DLR energy cutoff, same as Lambda / beta eps: float Representation accuracy """) m.add_constructor(signature = "(double beta, statistic_enum statistic, double w_max, double eps)") m.add_property(name = "beta", getter = cfunction(calling_pattern="double result = self_c.beta()", signature = "double()", doc = "Inverse temperature")) m.add_property(name = "statistic", getter = cfunction(calling_pattern="statistic_enum result = self_c.statistic()", signature = "statistic_enum()"), doc = "Statistic") m.add_property(name = "w_max", getter = cfunction(calling_pattern="double result = self_c.w_max()", signature = "double()", doc = "DLR energy cutoff")) m.add_property(name = "eps", getter = cfunction(calling_pattern="double result = self_c.eps()", signature = "double()", doc = "Representation accuracy")) module.add_class(m) ######################## ## MeshLegendre ######################## # the mesh m = make_mesh( py_type = "MeshLegendre", c_tag = "triqs::mesh::legendre", with_values = False, doc = """Mesh representing Legendre polynomials with degrees in the interval [0,max_n] Parameters ---------- beta : float Inverse temperature statistic : str Statistic, 'Fermion' or 'Boson' max_n : int Largest degree """) m.add_constructor(signature = "(double beta, statistic_enum S, int max_n)") m.add_constructor(signature = "(double beta, statistic_enum S, int n_max)") m.add_constructor(signature = "(double beta, statistic_enum statistic, int max_n)") m.add_property(name = "beta", getter = cfunction(calling_pattern="double result = self_c.beta()", signature = "double()", doc = "Inverse temperature")) m.add_property(name = "statistic", getter = cfunction(calling_pattern="statistic_enum result = self_c.statistic()", signature = "statistic_enum()"), doc = "Statistic") module.add_class(m) ######################## ## MeshReFreq ######################## m = make_mesh(py_type = "MeshReFreq", c_tag = "refreq", doc = """Mesh of real frequencies Frequencies are evenly distributed in the interval [w_min, w_max] including values at both edges. Parameters (Option 1) --------------------- window : pair of float The frequency interval n_w : int Number of frequencies Parameters (Option 2) --------------------- w_min : float Smallest frequency w_max : float Largest frequency n_w : int Number of frequencies """) m.add_constructor(signature = "(double w_min, double w_max, int n_w)") m.add_constructor(signature = "(double w_min, double w_max, int n_max)") m.add_constructor(signature = "(std::pair<double, double> window, int n_w)") m.add_property(name = "w_min", getter = cfunction(calling_pattern="double result = self_c.w_min()", signature = "double()", doc = "Smallest frequency")) m.add_property(name = "w_max", getter = cfunction(calling_pattern="double result = self_c.w_max()", signature = "double()", doc = "Largest frequency")) m.add_property(name = "delta", getter = cfunction(calling_pattern="double result = self_c.delta()", signature = "double()", doc = "The mesh-spacing")) module.add_class(m) ######################## ## MeshReTime ######################## m = make_mesh(py_type = "MeshReTime", c_tag = "retime", doc = """Mesh of real times Times are evenly distributed in the interval [t_min, t_max] including values at both edges. Parameters (Option 1) --------------------- window : pair of float The time interval n_t : int Number of time-points Parameters (Option 2) --------------------- t_min : float Smallest time t_max : float Largest time n_t : int Number of time-points """) m.add_constructor(signature = "(double t_min, double t_max, int n_t)") m.add_constructor(signature = "(double t_min, double t_max, int n_max)") m.add_constructor(signature = "(std::pair<double, double> window, int n_t)") m.add_property(name = "t_min", getter = cfunction(calling_pattern="double result = self_c.t_min()", signature = "double()", doc = "Smallest time")) m.add_property(name = "t_max", getter = cfunction(calling_pattern="double result = self_c.t_max()", signature = "double()", doc = "Largest time")) m.add_property(name = "delta", getter = cfunction(calling_pattern="double result = self_c.delta()", signature = "double()", doc = "The mesh-spacing")) module.add_class(m) ######################## ## MeshBrZone ######################## m = make_mesh( py_type = "MeshBrZone", c_tag = "brzone", doc = """Momentum mesh on a BrillouinZone) The unit vectors $U$ of the mesh are constructed such that $$K = N * U$$ where $K$ is the reciprocal matrix and $N$ the periodization matrix. Parameters (Option 1) --------------------- bz : BrillouinZone The underlying Brillouin Zone dims : numpy.ndarray of integers, shape=(3,) The extent of each dimension Parameters (Option 2) --------------------- bz : BrillouinZone The underlying Brillouin Zone n_k : int Number of mesh-points in each reciprocal direction """) m.add_constructor(signature = "(triqs::lattice::brillouin_zone bz, std::array<long, 3> dims)") m.add_constructor(signature = "(triqs::lattice::brillouin_zone bz, int n_k)") m.add_method("std::array<long,3> closest_index(vector_const_view<double> v)", doc = "Mesh Index closest to the vector") m.add_property(getter = cfunction("std::array<long, 3> dims()"), doc = "Linear dimensions") m.add_property(getter = cfunction("matrix_const_view<double> units()"), doc = "Matrix containing mesh basis vectors as rows") m.add_property(getter = cfunction("triqs::lattice::brillouin_zone bz()"), doc = "The brillouin_zone") module.add_class(m) ######################## ## MeshCycLat ######################## m = make_mesh( py_type = "MeshCycLat", c_tag = "cyclat", doc = """Mesh with finite periodicity on a BravaisLattice Parameters (Option 1) --------------------- lattice : BravaisLattice The underlying Bravais Lattice dims : numpy.ndarray of integers, shape=(3,) The extent of each dimension Parameters (Option 2) --------------------- lattice : BravaisLattice The underlying Bravais Lattice L : int Number of mesh-points in each spacial direction """) m.add_constructor(signature = "(triqs::lattice::bravais_lattice bl, std::array<long, 3> dims)") m.add_constructor(signature = "(triqs::lattice::bravais_lattice bl, int L)") m.add_constructor(signature = "(triqs::lattice::bravais_lattice lattice, std::array<long, 3> dims)") m.add_constructor(signature = "(triqs::lattice::bravais_lattice lattice, int L)") m.add_constructor(signature = "(int L1, int L2, int L3)") m.add_constructor(signature = "()") m.add_property(getter = cfunction("std::array<long, 3> dims()"), doc = "Extent of each dimension") m.add_property(getter = cfunction("matrix_const_view<double> units()"), doc = "Matrix containing mesh basis vectors as rows") m.add_property(getter = cfunction("triqs::lattice::bravais_lattice lattice()"), doc = "The bravais_lattice") module.add_class(m) ############################ ## Mesh Factory Functions ############################ # ---------------------- make_adjoint_mesh -------------------- module.add_function("imfreq triqs::mesh::make_adjoint_mesh(imtime m, int n_iw = -1)", doc = "Create the adjoint iw-mesh") module.add_function("imtime triqs::mesh::make_adjoint_mesh(imfreq m, int n_tau = -1)", doc = "Create the adjoint tau-mesh") module.add_function("dlr_imfreq triqs::mesh::make_adjoint_mesh(dlr_imtime m)", doc = "Create the adjoint dlr iw mesh") module.add_function("dlr_imtime triqs::mesh::make_adjoint_mesh(dlr_imfreq m)", doc = "Create the adjoint dlr imtime mesh") module.add_function("refreq triqs::mesh::make_adjoint_mesh(retime m, bool shift_half_bin = false)", doc = "Create the adjoint w-mesh") module.add_function("retime triqs::mesh::make_adjoint_mesh(refreq m, bool shift_half_bin = false)", doc = "Create the adjoint t-mesh") module.add_function("brzone triqs::mesh::make_adjoint_mesh(cyclat m)", doc = "Create the adjoint k-mesh") module.add_function("cyclat triqs::mesh::make_adjoint_mesh(brzone m)", doc = "Create the adjoint r-mesh") ## Code generation module.generate_code()