quant-met 0.0.14__py3-none-any.whl → 0.0.16__py3-none-any.whl

quant_met/mean_field/search_crit_temp.py

@@ -44,15 +44,15 @@ def _get_bounds(
             delta_vs_temp_list.append(data_dict)
             gap = np.array([data_dict[key] for key in data_dict if key.startswith("delta")])
             if np.allclose(gap, 0):
-                zero_gap_temp = temp
-                temp = 0.5 * temp
                 logger.info("Found temperature with zero gap.")
+                zero_gap_temp = temp
                 found_zero_gap = True
-            elif np.allclose(gap, zero_temperature_gap):
-                nonzero_gap_temp = temp
-                temp = 2 * temp
+                temp = 0.5 * temp
+            elif np.allclose(gap, zero_temperature_gap, atol=np.min(np.abs(zero_temperature_gap))):
                 logger.info("Found temperature with nonzero gap.")
+                nonzero_gap_temp = temp
                 found_nonzero_gap = True
+                temp = 2 * temp
             elif direction == "down":
                 logger.info(
                     "Gap is neither zero nor equal to the nonzero gap. Reducing temperature."
@@ -63,14 +63,18 @@ def _get_bounds(
                     "Gap is neither zero nor equal to the nonzero gap. Increasing temperature."
                 )
                 temp = 2 * temp
-        else:
+        elif direction == "down":
             logger.info("No data found for temperature %s. Reducing temperature.", temp)
-            temp = 0.7 * temp
-        if found_zero_gap and not found_nonzero_gap and temp > initial_temp:
+            temp = 0.5 * temp
+        else:
+            logger.info("No data found for temperature %s. Increasing temperature.", temp)
+            temp = 2 * temp
+
+        if found_zero_gap and direction == "up" and not found_nonzero_gap:
             logger.info("Switching direction to decrease temperature.")
             temp = initial_temp / 2
             direction = "down"
-        if found_nonzero_gap and not found_zero_gap and temp < initial_temp:
+        if found_nonzero_gap and direction == "down" and not found_zero_gap:
             logger.info("Switching direction to increase temperature.")
             temp = 2 * initial_temp
             direction = "up"
@@ -89,13 +93,12 @@ def _fit_for_crit_temp(
                     np.isclose(
                         np.abs(delta_vs_temp[f"delta_{orbital}"]) ** 2,
                         0,
-                        atol=1000 * (np.abs(delta_vs_temp[f"delta_{orbital}"]) ** 2).min(),
-                        rtol=1e-3,
+                        rtol=0.05,
                     ),
                     np.isclose(
                         np.abs(delta_vs_temp[f"delta_{orbital}"]) ** 2,
                         (np.abs(delta_vs_temp[f"delta_{orbital}"]) ** 2).max(),
-                        rtol=1e-3,
+                        rtol=1e-2,
                     ),
                 )
             )

{quant_met-0.0.14.dist-info → quant_met-0.0.16.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: quant-met
-Version: 0.0.14
+Version: 0.0.16
 Summary: Calculate superconductivity in flat-band systems.
 Home-page: https://quant-met.tjarksievers.de
 Author: Tjark Sievers

{quant_met-0.0.14.dist-info → quant_met-0.0.16.dist-info}/RECORD

@@ -19,7 +19,7 @@ quant_met/mean_field/hamiltonians/one_band_tight_binding.py,sha256=SXHPoVd_zyevN
 quant_met/mean_field/hamiltonians/three_band_tight_binding.py,sha256=MuOxUTPPBENjKBotPVQH-8343y4dv73jtZXo-w8mJsA,3282
 quant_met/mean_field/hamiltonians/two_band_tight_binding.py,sha256=Vk01wY1UP4V1yYHZ9RmlbB0cybPJjGlrBUkR8d3o3j8,2852
 quant_met/mean_field/quantum_metric.py,sha256=2yRu2bfgMxgPcVqasmqfgUy8-O7gXJwJI7ziuvIShXU,2580
-quant_met/mean_field/search_crit_temp.py,sha256=iCjngwHgZhqW8rwAPZjUZvQG5XWwuutCxxITW54a__c,8550
+quant_met/mean_field/search_crit_temp.py,sha256=RF4Fr8v8crl6KlFktw8oH3Hbbez1q5My1sbMe2wSuXQ,8653
 quant_met/mean_field/self_consistency.py,sha256=uk80FK7b1VVsFcUreGih11EMGXs45pkZ567g0bTNYwU,3140
 quant_met/mean_field/superfluid_weight.py,sha256=0T_vkJB9AvjeaPG_y5h_3ZHh-0MCefeXnaPOn-hYjKw,4127
 quant_met/parameters/__init__.py,sha256=Urw9tGQkHgNogcqheIVoZYLka9Wao5FdwbvUK3-5qGw,1007
@@ -28,9 +28,9 @@ quant_met/parameters/main.py,sha256=hGcJvRixkXuUk9MytAs0S1L2VvcJlT8qVG1g7NZOjlE,
 quant_met/plotting/__init__.py,sha256=HEt2KKhUOR1he2cKL9GLfGfqN87Q6jl_AKylGC20U4g,544
 quant_met/plotting/plotting.py,sha256=ueFKhGK2mo-_JKifhRlgT6WDuEbKSMwDaTNnl70tCZQ,6583
 quant_met/utils.py,sha256=JG_tShSL1JIi-Fn-N6mVD6J0sl7Egf-zuHnOSEKu7VA,1666
-quant_met-0.0.14.dist-info/LICENSE.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
-quant_met-0.0.14.dist-info/LICENSES/MIT.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
-quant_met-0.0.14.dist-info/METADATA,sha256=orOhm79uXFNHC6gvPn3qfXJzvfkukA63Wxe7PzAoaec,2097
-quant_met-0.0.14.dist-info/WHEEL,sha256=Nq82e9rUAnEjt98J6MlVmMCZb-t9cYE2Ir1kpBmnWfs,88
-quant_met-0.0.14.dist-info/entry_points.txt,sha256=fuVnEk5wiqPMEhn-Cc7q0Hdk2s_OniOn0zfdFPicH4Y,47
-quant_met-0.0.14.dist-info/RECORD,,
+quant_met-0.0.16.dist-info/LICENSE.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
+quant_met-0.0.16.dist-info/LICENSES/MIT.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
+quant_met-0.0.16.dist-info/METADATA,sha256=yXzlKy9e-KnGAE0YPRa2xKXF-mtZO04Ql_09TuyWfs8,2097
+quant_met-0.0.16.dist-info/WHEEL,sha256=Nq82e9rUAnEjt98J6MlVmMCZb-t9cYE2Ir1kpBmnWfs,88
+quant_met-0.0.16.dist-info/entry_points.txt,sha256=fuVnEk5wiqPMEhn-Cc7q0Hdk2s_OniOn0zfdFPicH4Y,47
+quant_met-0.0.16.dist-info/RECORD,,