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= "h5",
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()