sparse-ir 1.1.1__tar.gz → 1.1.3__tar.gz

{sparse-ir-1.1.1/src/sparse_ir.egg-info → sparse-ir-1.1.3}/PKG-INFO

@@ -1,13 +1,11 @@
 Metadata-Version: 2.1
 Name: sparse-ir
-Version: 1.1.1
+Version: 1.1.3
 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
-License: UNKNOWN
 Keywords: irbasis many-body propagator svd
-Platform: UNKNOWN
 Classifier: Development Status :: 5 - Production/Stable
 Classifier: Intended Audience :: Developers
 Classifier: Intended Audience :: Science/Research
@@ -146,5 +144,3 @@ MINIMAX isometry method (Merzuk Kaltak and Georg Kresse,
 .. _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-1.1.1 → sparse-ir-1.1.3}/src/sparse_ir/__init__.py

@@ -10,9 +10,9 @@ intermediate representation of correlation functions.  It provides:
  - basis functions and singular values are accurate to full precision
  - routines for sparse sampling
 """
-__copyright__ = "2020-2024 Markus Wallerberger, Hiroshi Shinaoka, and others"
+__copyright__ = "2020-2025 Markus Wallerberger, Hiroshi Shinaoka, and others"
 __license__ = "MIT"
-__version__ = "1.1.1"
+__version__ = "1.1.3"
 
 from .kernel import RegularizedBoseKernel, LogisticKernel
 from .sve import compute as compute_sve, SVEResult

{sparse-ir-1.1.1 → sparse-ir-1.1.3}/src/sparse_ir/augment.py

@@ -247,7 +247,7 @@ class TauConst(AbstractAugmentation):
 
     def hat(self, n):
         n = _util.check_reduced_matsubara(n, zeta=0)
-        return np.sqrt(self._beta) * (n == 0).astype(np.complex)
+        return np.sqrt(self._beta) * (n == 0).astype(complex)
 
 
 class TauLinear(AbstractAugmentation):

{sparse-ir-1.1.1 → sparse-ir-1.1.3}/src/sparse_ir/basis.py

@@ -56,6 +56,16 @@ class FiniteTempBasis(abstract.AbstractBasis):
         self._kernel = _get_kernel(statistics, beta * wmax, kernel)
         if sve_result is None:
             sve_result = sve.compute(self._kernel, eps)
+        else:
+            # Sanity check of provided sve_result
+            # TODO: check for the kernel type/name or eps?
+            new_kernel_lambda = self._kernel.lambda_
+            sve_kernel_lambda = sve_result.K.lambda_
+            if not np.allclose(new_kernel_lambda, sve_kernel_lambda,
+                               atol=1e-12, rtol=4e-16):
+                raise ValueError("Kernel mismatch:\n"
+                                 "provided SVE result is incompatible with "
+                                 "kernel parameters (lambda_ == beta*wmax)")
 
         self._sve_result = sve_result
         self._statistics = statistics

{sparse-ir-1.1.1 → sparse-ir-1.1.3}/src/sparse_ir/basis_set.py

@@ -87,3 +87,15 @@ class FiniteTempBasisSet:
     def wn_b(self):
         """Sampling bosonic frequencies"""
         return self.smpl_wn_b.sampling_points
+
+    def rescale(self, new_beta):
+        """Return a basis set for a different temperature.
+
+        Uses the same kernel with the same ``eps``, but a different
+        temperature.  Note that this implies a different UV cutoff ``wmax``,
+        since ``lambda_ == beta * wmax`` stays constant.
+        """
+        new_wmax = self.basis_f.lambda_ / new_beta
+        return FiniteTempBasisSet(new_beta, new_wmax,
+                                  eps=self.basis_f.sve_result.eps,
+                                  sve_result=self.basis_f.sve_result)

{sparse-ir-1.1.1 → sparse-ir-1.1.3/src/sparse_ir.egg-info}/PKG-INFO

@@ -1,13 +1,11 @@
 Metadata-Version: 2.1
 Name: sparse-ir
-Version: 1.1.1
+Version: 1.1.3
 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
-License: UNKNOWN
 Keywords: irbasis many-body propagator svd
-Platform: UNKNOWN
 Classifier: Development Status :: 5 - Production/Stable
 Classifier: Intended Audience :: Developers
 Classifier: Intended Audience :: Science/Research
@@ -146,5 +144,3 @@ MINIMAX isometry method (Merzuk Kaltak and Georg Kresse,
 .. _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-1.1.1 → sparse-ir-1.1.3}/test/test_sve.py

@@ -25,7 +25,8 @@ def _check_smooth(u, s, uscale, fudge_factor):
 
 @pytest.mark.parametrize("lambda_", [10, 42, 10_000])
 def test_smooth(sve_logistic, lambda_):
-    basis = sparse_ir.FiniteTempBasis('F', 1, lambda_,
+    beta = 1
+    basis = sparse_ir.FiniteTempBasis('F', beta, lambda_/beta,
                                       sve_result=sve_logistic[lambda_])
     _check_smooth(basis.u, basis.s, 2*basis.u(1).max(), 24)
     _check_smooth(basis.v, basis.s, 50, 20)
@@ -33,7 +34,8 @@ def test_smooth(sve_logistic, lambda_):
 
 @pytest.mark.parametrize("lambda_", [10, 42, 10_000])
 def test_num_roots_u(sve_logistic, lambda_):
-    basis = sparse_ir.FiniteTempBasis('F', 1, lambda_,
+    beta = 1
+    basis = sparse_ir.FiniteTempBasis('F', beta, lambda_/beta,
                                       sve_result=sve_logistic[lambda_])
     for i in range(basis.u.size):
         ui_roots = basis.u[i].roots()
@@ -43,7 +45,8 @@ def test_num_roots_u(sve_logistic, lambda_):
 @pytest.mark.parametrize("stat", ['F', 'B'])
 @pytest.mark.parametrize("lambda_", [10, 42, 10_000])
 def test_num_roots_uhat(sve_logistic, stat, lambda_):
-    basis = sparse_ir.FiniteTempBasis(stat, 1, lambda_,
+    beta = 1
+    basis = sparse_ir.FiniteTempBasis(stat, beta, lambda_/beta,
                                       sve_result=sve_logistic[lambda_])
     for i in [0, 1, 7, 10]:
         x0 = basis.uhat[i].extrema()
@@ -53,7 +56,8 @@ def test_num_roots_uhat(sve_logistic, stat, lambda_):
 @pytest.mark.parametrize("stat", ['F', 'B'])
 @pytest.mark.parametrize("lambda_", [10, 42, 10_000])
 def test_accuracy(sve_logistic, stat, lambda_):
-    basis = sparse_ir.FiniteTempBasis(stat, 4, lambda_,
+    beta = 4
+    basis = sparse_ir.FiniteTempBasis(stat, beta, lambda_/beta,
                                       sve_result=sve_logistic[lambda_])
 
     assert 0 < basis.accuracy <= basis.significance[-1]