From 1a3f357d1ee8ac5ad35e1ea2dbecb52d9120ec8d Mon Sep 17 00:00:00 2001
From: Kostas Vilkelis <kostasvilkelis@gmail.com>
Date: Fri, 19 Jan 2024 13:16:39 +0100
Subject: [PATCH] remove from redundant args
---
codes/hf.py | 5 +++--
1 file changed, 3 insertions(+), 2 deletions(-)
diff --git a/codes/hf.py b/codes/hf.py
index 3f92b15..aac48be 100644
--- a/codes/hf.py
+++ b/codes/hf.py
@@ -2,7 +2,7 @@ from scipy.ndimage import convolve
import numpy as np
import codes.utils as utils
-def density_matrix(vals, vecs, E_F, dim):
+def density_matrix(vals, vecs, E_F):
"""
Returns the mean field F_ij(k) = <psi_i(k)|psi_j(k)> for all k-points and
eigenvectors below the Fermi level.
@@ -22,6 +22,7 @@ def density_matrix(vals, vecs, E_F, dim):
Density matrix rho=rho[kx, ky, ..., i, j] where i,j are cell indices.
"""
norbs = vals.shape[-1]
+ dim = len(vals.shape) - 1
nk = vals.shape[0]
if dim > 0:
@@ -152,7 +153,7 @@ def updated_matrices(mf_k, model):
vals, vecs = np.linalg.eigh(hamiltonians)
vecs = np.linalg.qr(vecs)[0]
E_F = utils.get_fermi_energy(vals, model.filling)
- rho = density_matrix(vals=vals, vecs=vecs, E_F=E_F, dim=model.dim)
+ rho = density_matrix(vals=vals, vecs=vecs, E_F=E_F)
return rho, compute_mf(
rho=rho,
H_int=model.H_int) - E_F * np.eye(model.hamiltonians_0.shape[-1])
--
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