Commit 3233f01a authored by Thomas Hellemans's avatar Thomas Hellemans
Browse files

Investigating convergence

parent 9df69651
This source diff could not be displayed because it is too large. You can view the blob instead.
This source diff could not be displayed because it is too large. You can view the blob instead.
This source diff could not be displayed because it is too large. You can view the blob instead.
This diff is collapsed.
This diff is collapsed.
......@@ -1184,7 +1184,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"display_name": "Python 3",
"language": "python",
"name": "python3"
},
......@@ -1198,7 +1198,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.3"
"version": "3.8.10"
}
},
"nbformat": 4,
......
This diff is collapsed.
......@@ -132,8 +132,8 @@ class ExactLdos:
if index is None:
return self.moments
else:
if isinstance(index, int):
return self.moments[:, np.where(self.indices == index)]
if isinstance(index, (int, np.int64, np.int32)):
return self.moments[:, np.where(self.indices == index)[0]]
else:
index = np.asarray(index)
local_indices = indices_from_coordinates(self.indices[:,None],
......
......@@ -327,7 +327,7 @@ class NewtonRaphson():
input_sv.extend(s_vect)
default = {'charge_density':None,
'method':'scipy',
'method':'mumps',
'kwargs':dict()}
for key in ['charge_density', 'method', 'kwargs']:
......
......@@ -405,7 +405,7 @@ class PescadoKwantProblem:
num_moments=num_moments,
vector_factory=vector_factory,
mean=False,
rng=0,
accumulate_vectors=False,
params=params)
# Determine the pescado indices corresponding to the kwant sites for
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment