From 199956b6d45c56a7f84d8fc38b8b8090ec97c67b Mon Sep 17 00:00:00 2001
From: Pauli Virtanen <pauli.t.virtanen@jyu.fi>
Date: Tue, 23 Apr 2024 16:42:04 +0300
Subject: [PATCH] Documentation
---
usadelndsoc/matsubara.py | 14 +++++++-------
1 file changed, 7 insertions(+), 7 deletions(-)
diff --git a/usadelndsoc/matsubara.py b/usadelndsoc/matsubara.py
index 74a05de..135874f 100644
--- a/usadelndsoc/matsubara.py
+++ b/usadelndsoc/matsubara.py
@@ -63,11 +63,11 @@ def _gauss_series_weights(n):
# bessel_poly_yn = lambda n, x: np.sqrt(2/(np.pi*x)) * np.exp(1/x) * special.kv(n+0.5, 1/x)
# Recurrence formula from [1]
- a = 2 * np.pi ** 2 / (4 * j + 1) / (4 * j + 5)
- a[0] = np.pi ** 2 / 15
- sqrt_b = np.pi ** 2 / np.sqrt((4 * j1 - 1) * (4 * j1 + 3)) / (4 * j1 + 1)
+ a = 2 * np.pi**2 / (4 * j + 1) / (4 * j + 5)
+ a[0] = np.pi**2 / 15
+ sqrt_b = np.pi**2 / np.sqrt((4 * j1 - 1) * (4 * j1 + 3)) / (4 * j1 + 1)
- m0 = pi ** 2 / 6 # = sum_{k=1}^oo 1/k^2
+ m0 = pi**2 / 6 # = sum_{k=1}^oo 1/k^2
# Compute eigenvalues and first elements of eigenvectors
#
@@ -98,7 +98,7 @@ def _gauss_series_weights(n):
# Then find eigenvectors, one by one
# Convert back to unweighted sum (z = 1/x^2)
- w = m0 * w ** 2 / z
+ w = m0 * w**2 / z
x = z ** (-0.5)
# Swap order
@@ -147,7 +147,7 @@ def get_matsubara_sum(T, E_typical=1.0, max_ne=2000, steps=1):
Examples
--------
>>> import numpy as np
- >>> from nfiscomp.matsubara import get_matsubara_sum
+ >>> from usadelndsoc.matsubara import get_matsubara_sum
>>> w, a = get_matsubara_sum(T=1, E_typical=1)
>>> n = w / (2*np.pi) + 0.5; n
array([-55.01190294, -17.89542335, -10.6225115 , -7.63686822,
@@ -189,7 +189,7 @@ def get_matsubara_sum(T, E_typical=1.0, max_ne=2000, steps=1):
E_max = 100 * abs(E_typical)
try:
- ne = 5 + int(np.sqrt(4 * E_max / (pi ** 2 * abs(T))))
+ ne = 5 + int(np.sqrt(4 * E_max / (pi**2 * abs(T))))
k, rem = divmod(ne, steps)
if rem != 0:
k += 1
--
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