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https://github.com/triqs/dft_tools
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gf. wrap legendre.
This commit is contained in:
Olivier Parcollet
parent
cfe3532c94
commit
f2136f7b80
@ -18,13 +18,15 @@ macro (triqs_python_extension ModuleName)
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# Adjust pythonpath so that pytriqs is visible and the wrap_generator too...
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# pytriqs needed since we import modules with pure python method to extract the doc..
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add_custom_command(OUTPUT ${wrap_name} ${converter_name} DEPENDS ${CMAKE_CURRENT_SOURCE_DIR}/${ModuleName}_desc.py
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COMMAND PYTHONPATH=${CMAKE_BINARY_DIR}/pytriqs/wrap_generator:${CMAKE_BINARY_DIR}/ ${PYTHON_INTERPRETER} ${CMAKE_CURRENT_BINARY_DIR}/${ModuleName}_desc.py ${CMAKE_SOURCE_DIR}/pytriqs/wrap_generator/wrapper.mako.cpp ${wrap_name} ${CMAKE_SOURCE_DIR}/pytriqs/wrap_generator/py_converter_wrapper.mako.hpp ${converter_name} )
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COMMAND PYTHONPATH=${CMAKE_BINARY_DIR}/pytriqs/wrap_generator:${CMAKE_BINARY_DIR}/ ${PYTHON_INTERPRETER} ${CMAKE_CURRENT_BINARY_DIR}/${ModuleName}_desc.py
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${CMAKE_SOURCE_DIR}/pytriqs/wrap_generator/wrapper.mako.cpp
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${wrap_name}
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${CMAKE_SOURCE_DIR}/pytriqs/wrap_generator/py_converter_wrapper.mako.hpp
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${converter_name} )
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set_property (GLOBAL APPEND PROPERTY TRIQS_PY_CONVERTERS_TARGETS "python_wrap_${ModuleName}")
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add_custom_target(python_wrap_${ModuleName} ALL DEPENDS ${wrap_name} ${converter_name})
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#//add_custom_target(${ModuleName}_converter.cpp ALL DEPENDS ${wrap_name})
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add_dependencies(python_wrap_${ModuleName} py_copy ${CMAKE_CURRENT_BINARY_DIR}/${ModuleName}_desc.py )
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add_library(${ModuleName} MODULE ${wrap_name})
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@ -35,7 +37,6 @@ macro (triqs_python_extension ModuleName)
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install (FILES ${converter_name} DESTINATION "include/pytriqs/converters")
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install (TARGETS ${ModuleName} DESTINATION ${TRIQS_PYTHON_LIB_DEST}/${ARGN} )
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endif (${ARGN} MATCHES "")
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#set_property (GLOBAL APPEND PROPERTY DEPENDANCE_TO_ADD triqs_${NickName} )
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endmacro (triqs_python_extension)
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@ -4,6 +4,7 @@ module = module_(full_name = "pytriqs.gf.local.gf", doc = "Local Green functions
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module.add_include("<triqs/gfs.hpp>")
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module.add_include("<triqs/gfs/local/functions.hpp>")
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module.add_include("<triqs/gfs/local/pade.hpp>")
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module.add_include("<triqs/gfs/local/legendre_matsubara.hpp>")
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module.add_using("namespace triqs::arrays")
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module.add_using("namespace triqs::gfs")
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module.add_using("namespace triqs::gfs::local")
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@ -146,6 +147,15 @@ m.add_constructor(signature = "(double beta, statistic_enum S, int n_max, mesh_k
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module.add_class(m)
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########################
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## MeshLegendre
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########################
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m = make_mesh( py_type = "MeshLegendre", c_tag = "legendre", has_kind = False, is_im = True)
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m.add_constructor(signature = "(double beta, statistic_enum S, int n_max=1025)")
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module.add_class(m)
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########################
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## MeshReFreq
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########################
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@ -188,7 +198,7 @@ module.add_class(m)
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## Gf Generic : common to all 5 one variable gf
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########################
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def make_gf( py_type, c_tag, is_complex_data = True, is_im = False) :
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def make_gf( py_type, c_tag, is_complex_data = True, is_im = False, has_tail = True) :
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data_type = "std::complex<double>" if is_complex_data else "double"
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@ -232,6 +242,7 @@ def make_gf( py_type, c_tag, is_complex_data = True, is_im = False) :
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getter = cfunction(calling_pattern="auto result = get_target_shape(self_c)", signature = "shape_type()"),
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doc = "")
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if has_tail:
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g.add_property(name = "tail",
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getter = cfunction(c_name="singularity", signature = "local::tail_view()"),
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doc ="The high frequency tail")
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@ -292,7 +303,7 @@ def make_gf( py_type, c_tag, is_complex_data = True, is_im = False) :
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signature = "gf<%s>()"%c_tag,
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doc = "Returns a NEW gf, with transposed data...")
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if c_tag != "imtime" :
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if c_tag not in [ "imtime", "legendre"] :
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g.add_method(py_name = "conjugate", calling_pattern = "auto result = conj(self_c)" , signature = "gf<%s>()"%c_tag, doc = "Return a new function, conjugate of self.")
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g.number_protocol['multiply'].add_overload(calling_pattern = "*", signature = "gf<%s>(matrix<%s> x,gf<%s> y)"%(c_tag,data_type,c_tag)) #'x'), (self.c_type,'y')], rtype = self.c_type)
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@ -337,6 +348,11 @@ g.add_method(py_name = "set_from_fourier",
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calling_pattern = "self_c = fourier(*gt)",
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doc = """Fills self with the Fourier transform of gt""")
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g.add_method(py_name = "set_from_legendre",
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signature = "void(gf_view<legendre> gl)",
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calling_pattern = "self_c = legendre_to_imfreq(*gl)",
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doc = """Fills self with the legendre transform of gl""")
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# Pure python methods
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g.add_pure_python_method("pytriqs.gf.local._gf_imfreq.replace_by_tail")
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g.add_pure_python_method("pytriqs.gf.local._gf_imfreq.fit_tail")
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@ -354,11 +370,59 @@ g.add_method(py_name = "set_from_inverse_fourier",
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calling_pattern = "self_c = inverse_fourier(*gw)",
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doc = """Fills self with the Inverse Fourier transform of gw""")
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g.add_method(py_name = "set_from_legendre",
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signature = "void(gf_view<legendre> gl)",
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calling_pattern = "self_c = legendre_to_imtime(*gl)",
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doc = """Fills self with the legendre transform of gl""")
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# add the call operator using the interpolation
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g.add_call(signature = "matrix<double>(double tau)", doc = "G(tau) using interpolation")
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module.add_class(g)
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########################
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## GfLegendre
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########################
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# the domain
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dom = class_( py_type = "GfLegendreDomain",
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c_type = "legendre_domain",
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c_type_absolute = "triqs::gfs::legendre_domain",
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serializable= "tuple",
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)
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dom.add_constructor(signature = "(double beta, statistic_enum S, int n_max)")
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module.add_class(dom)
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g = make_gf(py_type = "GfLegendre", c_tag = "legendre", is_im = True, is_complex_data = False, has_tail =False)
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g.add_method(py_name = "density",
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calling_pattern = "auto result = density(self_c)",
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signature = "matrix_view<double>()",
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doc = "Density, as a matrix, computed from a Matsubara sum")
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g.add_method(py_name = "total_density",
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calling_pattern = "auto result = trace(density(self_c))",
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signature = "double()",
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doc = "Trace of density")
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g.add_method(py_name = "set_from_imtime",
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signature = "void(gf_view<imtime> gt)",
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calling_pattern = "self_c = imtime_to_legendre(*gt)",
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doc = """Fills self with the legendre transform of gt""")
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g.add_method(py_name = "set_from_imfreq",
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signature = "void(gf_view<imfreq> gw)",
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calling_pattern = "self_c = imfreq_to_legendre(*gw)",
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doc = """Fills self with the legendre transform of gw""")
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g.add_method(py_name = "enforce_discontinuity",
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signature = "void(matrix_view<double> disc)",
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calling_pattern = "enforce_discontinuity(self_c, disc)",
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doc = """Modify the coefficient to adjust discontinuity""")
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module.add_class(g)
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########################
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## GfReFreq
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########################
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@ -173,6 +173,8 @@ namespace gfs {
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};
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inline nothing transpose(nothing) { return {};}
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inline nothing inverse(nothing) { return {};}
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inline nothing conj(nothing) { return {};}
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template <typename... T> nothing slice_target(nothing, T...) { return nothing(); }
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template <typename T> nothing operator+(nothing, T const &) { return nothing(); }
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template <typename T> nothing operator-(nothing, T const &) { return nothing(); }
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