From ed3827241696f94976b34c7caf19e1e7ef0cbc21 Mon Sep 17 00:00:00 2001
From: Johanna <johanna@zijderveld.de>
Date: Fri, 12 Apr 2024 15:44:43 +0200
Subject: [PATCH] fix tests by fixing imports of generate_guess
---
codes/mf.py | 62 ++++++++++++++++++-------------------
codes/params/test_params.py | 2 +-
codes/tb/test_tb.py | 4 +--
codes/test_graphene.py | 4 +--
4 files changed, 36 insertions(+), 36 deletions(-)
diff --git a/codes/mf.py b/codes/mf.py
index 8d3efb7..e3f9c3a 100644
--- a/codes/mf.py
+++ b/codes/mf.py
@@ -26,37 +26,6 @@ def density_matrix(kham, fermi_energy):
return density_matrix_kgrid
-def fermi_on_grid(kham, filling):
- """
- Compute the Fermi energy on a grid of k-points.
-
- Parameters
- ----------
- hkfunc : function
- Function that returns the Hamiltonian at a given k-point.
- nk : int
- Number of k-points in the grid.
- Returns
- -------
- fermi_energy : float
- Fermi energy
- """
-
- vals = np.linalg.eigvalsh(kham)
-
- norbs = vals.shape[-1]
- vals_flat = np.sort(vals.flatten())
- ne = len(vals_flat)
- ifermi = int(round(ne * filling / norbs))
- if ifermi >= ne:
- return vals_flat[-1]
- elif ifermi == 0:
- return vals_flat[0]
- else:
- fermi = (vals_flat[ifermi - 1] + vals_flat[ifermi]) / 2
- return fermi
-
-
def meanfield(density_matrix_tb, h_int, n=2):
"""
Compute the mean-field in k-space.
@@ -95,3 +64,34 @@ def meanfield(density_matrix_tb, h_int, n=2):
for vec in frozenset(h_int)
}
return add_tb(direct, exchange)
+
+
+def fermi_on_grid(kham, filling):
+ """
+ Compute the Fermi energy on a grid of k-points.
+
+ Parameters
+ ----------
+ hkfunc : function
+ Function that returns the Hamiltonian at a given k-point.
+ nk : int
+ Number of k-points in the grid.
+ Returns
+ -------
+ fermi_energy : float
+ Fermi energy
+ """
+
+ vals = np.linalg.eigvalsh(kham)
+
+ norbs = vals.shape[-1]
+ vals_flat = np.sort(vals.flatten())
+ ne = len(vals_flat)
+ ifermi = int(round(ne * filling / norbs))
+ if ifermi >= ne:
+ return vals_flat[-1]
+ elif ifermi == 0:
+ return vals_flat[0]
+ else:
+ fermi = (vals_flat[ifermi - 1] + vals_flat[ifermi]) / 2
+ return fermi
diff --git a/codes/params/test_params.py b/codes/params/test_params.py
index 66a31da..c97d3f1 100644
--- a/codes/params/test_params.py
+++ b/codes/params/test_params.py
@@ -1,6 +1,6 @@
# %%
from codes.params.rparams import mf_to_rparams, rparams_to_mf
-from codes.kwant_helper.utils import generate_guess
+from codes.tb.utils import generate_guess
from codes.tb.tb import compare_dicts
import pytest
diff --git a/codes/tb/test_tb.py b/codes/tb/test_tb.py
index 6fee47c..bb42c62 100644
--- a/codes/tb/test_tb.py
+++ b/codes/tb/test_tb.py
@@ -1,8 +1,8 @@
# %%
import numpy as np
from codes.tb.tb import compare_dicts
-from codes.kwant_helper import utils
import itertools as it
+from codes.tb.utils import generate_guess
from codes.tb.transforms import kfunc_to_tb, tb_to_kfunc, tb_to_kham, tb_to_khamvector
import pytest
@@ -39,7 +39,7 @@ def test_tbkham_transform():
(-1, -1),
)
ndof = 10
- h_0 = utils.generate_guess(vectors, ndof)
+ h_0 = generate_guess(vectors, ndof)
assert np.allclose(
tb_to_kham(h_0, nk=nk, ndim=2), tb_to_khamvector(h_0, nk=nk, ndim=2)
diff --git a/codes/test_graphene.py b/codes/test_graphene.py
index 921428e..9ff39c0 100644
--- a/codes/test_graphene.py
+++ b/codes/test_graphene.py
@@ -4,7 +4,7 @@ from codes.model import Model
from codes.solvers import solver
from codes import kwant_examples
from codes.kwant_helper import utils
-from codes.tb.utils import compute_gap
+from codes.tb.utils import compute_gap, generate_guess
from codes.tb.tb import add_tb
import pytest
@@ -46,7 +46,7 @@ def gap_prediction(U, V):
nk = 20
h_int = utils.builder_to_tb(int_builder, params)
- guess = utils.generate_guess(frozenset(h_int), len(list(h_0.values())[0]))
+ guess = generate_guess(frozenset(h_int), len(list(h_0.values())[0]))
model = Model(h_0, h_int, filling)
mf_sol = solver(model, guess, nk=nk, optimizer_kwargs={"verbose": True, "M": 0})
--
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