sparse-ir 1.1.6__py3-none-any.whl → 2.0.0a2__py3-none-any.whl

sparse_ir/svd.py

@@ -1,102 +0,0 @@
-# Copyright (C) 2020-2022 Markus Wallerberger, Hiroshi Shinaoka, and others
-# SPDX-License-Identifier: MIT
-from warnings import warn
-import numpy as np
-import scipy.linalg.interpolative as intp_decomp
-
-try:
-    from xprec import ddouble as _ddouble, finfo
-    import xprec.linalg as _xprec_linalg
-
-    MAX_DTYPE = _ddouble
-    MAX_EPS = 5e-32
-except ImportError:
-    _ddouble = None
-    _xprec_linalg = None
-
-    MAX_DTYPE = np.double
-    MAX_EPS = np.finfo(MAX_DTYPE).eps
-    finfo = np.finfo
-
-try:
-    from scipy.linalg.lapack import dgejsv as _lapack_dgejsv
-except ImportError:
-    _lapack_dgejsv = None
-
-
-def compute(a_matrix, n_sv_hint=None, strategy='fast'):
-    """Compute thin/truncated singular value decomposition
-
-    Computes the thin/truncated singular value decomposition of a matrix ``A``
-    into ``U``, ``s``, ``V``:
-
-        A == (U * s) @ V.T
-
-    Depending on the strategy, only as few as ``n_sv_hint`` most significant
-    singular values may be returned, but applications should not rely on this
-    behvaiour.  The ``strategy`` parameter can be ``fast`` (RRQR/t-SVD),
-    ``default`` (full SVD) or ``accurate`` (Jacobi rotation SVD).
-    """
-    a_matrix = np.asarray(a_matrix)
-    m, n = a_matrix.shape
-    if n_sv_hint is None:
-        n_sv_hint = min(m, n)
-    n_sv_hint = min(m, n, n_sv_hint)
-
-    if _ddouble is not None and a_matrix.dtype == _ddouble:
-        u, s, v = _ddouble_svd_trunc(a_matrix)
-    elif strategy == 'fast':
-        u, s, v = _idsvd(a_matrix, n_sv=n_sv_hint)
-    elif strategy == 'default':
-        # Usual (simple) SVD
-        u, s, vh = np.linalg.svd(a_matrix, full_matrices=False)
-        v = vh.T.conj()
-    elif strategy == 'accurate':
-        # Most accurate SVD
-        if _lapack_dgejsv is None:
-            warn("dgejsv (accurate SVD) is not available. Falling back to\n"
-                 "default SVD.  Expect slightly lower precision.\n"
-                 "Use xprec or scipy >= 1.5 to fix the issue.")
-            return compute(a_matrix, n_sv_hint, strategy='default')
-        u, s, v = _dgejsv(a_matrix, mode='F')
-    else:
-        raise ValueError("invalid strategy:" + str(strategy))
-
-    return u, s, v
-
-
-def _idsvd(a, n_sv):
-    # Use interpolative decomposition, since it scales favorably to a full
-    # SVD when we are only interested in a small subset of singular values.
-    # NOTE: this returns the right singular vectors, not their conjugate!
-    intp_decomp.seed(4711)
-    return intp_decomp.svd(a, n_sv)
-
-
-def _dgejsv(a, mode='A'):
-    """Compute SVD using the (more accurate) Jacobi method"""
-    # GEJSV can only handle tall matrices
-    m, n = a.shape
-    if m < n:
-        u, s, v = _dgejsv(a.T, mode)
-        return v, s, u
-
-    mode = mode.upper()
-    joba = dict(zip("CEFGAR", range(6)))[mode]
-    s, u, v, _stat, istat, info = _lapack_dgejsv(a, joba)
-    if info < 0:
-        raise ValueError("LAPACK error - invalid parameter")
-    if istat[2] != 0:
-        warn("a contained denormalized floats - possible loss of accuracy",
-             UserWarning, 2)
-    if info > 0:
-        warn("SVD did not converge", UserWarning, 2)
-    return u, s, v
-
-
-def _ddouble_svd_trunc(a):
-    """Truncated SVD with double double precision"""
-    if _xprec_linalg is None:
-        raise RuntimeError("require xprec package for this precision")
-    u, s, vh = _xprec_linalg.svd_trunc(a)
-    return u, s, vh.T

sparse_ir-1.1.6.dist-info/METADATA

@@ -1,155 +0,0 @@
-Metadata-Version: 2.1
-Name: sparse-ir
-Version: 1.1.6
-Summary: intermediate representation (IR) basis for electronic propagator
-Home-page: https://github.com/SpM-lab/sparse-ir
-Author: ['Markus Wallerberger', 'Hiroshi Shinaoka', 'Kazuyoshi Yoshimi', 'Junya Otsuki', 'Chikano Naoya']
-Author-email: markus.wallerberger@tuwien.ac.at
-Keywords: irbasis many-body propagator svd
-Classifier: Development Status :: 5 - Production/Stable
-Classifier: Intended Audience :: Developers
-Classifier: Intended Audience :: Science/Research
-Classifier: Topic :: Scientific/Engineering :: Physics
-Classifier: License :: OSI Approved :: MIT License
-Classifier: Programming Language :: Python :: 3
-Requires-Python: >=3
-Description-Content-Type: text/x-rst
-License-File: LICENSE.txt
-Requires-Dist: numpy
-Requires-Dist: scipy
-Requires-Dist: setuptools
-Provides-Extra: doc
-Requires-Dist: sphinx >=2.1 ; extra == 'doc'
-Requires-Dist: sphinx-rtd-theme ; extra == 'doc'
-Provides-Extra: test
-Requires-Dist: irbasis ; extra == 'test'
-Requires-Dist: pytest ; extra == 'test'
-Requires-Dist: xprec ; extra == 'test'
-Provides-Extra: xprec
-Requires-Dist: xprec >=1.0 ; extra == 'xprec'
-
-sparse-ir - A library for the intermediate representation of propagators
-========================================================================
-This library provides routines for constructing and working with the
-intermediate representation of correlation functions.  It provides:
-
- - on-the-fly computation of basis functions for arbitrary cutoff Λ
- - basis functions and singular values are accurate to full precision
- - routines for sparse sampling
-
-
-Installation
-------------
-Install via `pip <https://pypi.org/project/sparse-ir>`_::
-
-    pip install sparse-ir[xprec]
-
-The above line is the recommended way to install `sparse-ir`.  It automatically
-installs the `xprec <https://github.com/tuwien-cms/xprec>`_ package, which
-allows one to compute the IR basis functions with greater accuracy.  If you do
-not want to do this, simply remove the string ``[xprec]`` from the above command.
-
-Install via `conda <https://anaconda.org/spm-lab/sparse-ir>`_::
-
-    conda install -c spm-lab sparse-ir xprec
-
-Other than the optional xprec dependency, sparse-ir requires only
-`numpy <https://numpy.org/>`_ and `scipy <https://scipy.org/>`_.
-
-To manually install the current development version, you can use the following::
-
-   # Only recommended for developers - no automatic updates!
-   git clone https://github.com/SpM-lab/sparse-ir
-   pip install -e sparse-ir/[xprec]
-
-Documentation and tutorial
---------------------------
-Check out our `comprehensive tutorial`_, where we self-contained
-notebooks for several many-body methods - GF(2), GW, Eliashberg equations,
-Lichtenstein formula, FLEX, ... - are presented.
-
-Refer to the `API documentation`_ for more details on how to work
-with the python library.
-
-There is also a `Julia library`_ and (currently somewhat restricted)
-`Fortran library`_ available for the IR basis and sparse sampling.
-
-.. _comprehensive tutorial: https://spm-lab.github.io/sparse-ir-tutorial
-.. _API documentation: https://sparse-ir.readthedocs.io
-.. _Julia library: https://github.com/SpM-lab/SparseIR.jl
-.. _Fortran library: https://github.com/SpM-lab/sparse-ir-fortran
-
-Getting started
----------------
-Here is a full second-order perturbation theory solver (GF(2)) in a few
-lines of Python code::
-
-    # Construct the IR basis and sparse sampling for fermionic propagators
-    import sparse_ir, numpy as np
-    basis = sparse_ir.FiniteTempBasis('F', beta=10, wmax=8, eps=1e-6)
-    stau = sparse_ir.TauSampling(basis)
-    siw = sparse_ir.MatsubaraSampling(basis, positive_only=True)
-
-    # Solve the single impurity Anderson model coupled to a bath with a
-    # semicircular states with unit half bandwidth.
-    U = 1.2
-    def rho0w(w):
-        return np.sqrt(1-w.clip(-1,1)**2) * 2/np.pi
-
-    # Compute the IR basis coefficients for the non-interacting propagator
-    rho0l = basis.v.overlap(rho0w)
-    G0l = -basis.s * rho0l
-
-    # Self-consistency loop: alternate between second-order expression for the
-    # self-energy and the Dyson equation until convergence.
-    Gl = G0l
-    Gl_prev = 0
-    while np.linalg.norm(Gl - Gl_prev) > 1e-6:
-        Gl_prev = Gl
-        Gtau = stau.evaluate(Gl)
-        Sigmatau = U**2 * Gtau**3
-        Sigmal = stau.fit(Sigmatau)
-        Sigmaiw = siw.evaluate(Sigmal)
-        G0iw = siw.evaluate(G0l)
-        Giw = 1/(1/G0iw - Sigmaiw)
-        Gl = siw.fit(Giw)
-
-You may want to start with reading up on the `intermediate representation`_.
-It is tied to the analytic continuation of bosonic/fermionic spectral
-functions from (real) frequencies to imaginary time, a transformation mediated
-by a kernel ``K``.  The kernel depends on a cutoff, which you should choose to
-be ``lambda_ >= beta * W``, where ``beta`` is the inverse temperature and ``W``
-is the bandwidth.
-
-One can now perform a `singular value expansion`_ on this kernel, which
-generates two sets of orthonormal basis functions, one set ``v[l](w)`` for
-real frequency side ``w``, and one set ``u[l](tau)`` for the same obejct in
-imaginary (Euclidean) time ``tau``, together with a "coupling" strength
-``s[l]`` between the two sides.
-
-By this construction, the imaginary time basis can be shown to be *optimal* in
-terms of compactness.
-
-.. _intermediate representation: https://arxiv.org/abs/2106.12685
-.. _singular value expansion: https://w.wiki/3poQ
-
-License and citation
---------------------
-This software is released under the MIT License.  See LICENSE.txt for details.
-
-If you find the intermediate representation, sparse sampling, or this software
-useful in your research, please consider citing the following papers:
-
- - Hiroshi Shinaoka et al., `Phys. Rev. B 96, 035147`_  (2017)
- - Jia Li et al., `Phys. Rev. B 101, 035144`_ (2020)
- - Markus Wallerberger et al., `SoftwareX 21, 101266`_ (2023)
-
-If you are discussing sparse sampling in your research specifically, please
-also consider citing an independently discovered, closely related approach, the
-MINIMAX isometry method (Merzuk Kaltak and Georg Kresse,
-`Phys. Rev. B 101, 205145`_, 2020).
-
-.. _Phys. Rev. B 96, 035147: https://doi.org/10.1103/PhysRevB.96.035147
-.. _Phys. Rev. B 101, 035144: https://doi.org/10.1103/PhysRevB.101.035144
-.. _SoftwareX 21, 101266: https://doi.org/10.1016/j.softx.2022.101266
-.. _Phys. Rev. B 101, 205145: https://doi.org/10.1103/PhysRevB.101.205145

sparse_ir-1.1.6.dist-info/RECORD

@@ -1,20 +0,0 @@
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