From 71a14e73db4373a4a81f447ee51e2502538a594f Mon Sep 17 00:00:00 2001
From: Antonio Manesco <am@antoniomanesco.org>
Date: Wed, 20 Dec 2023 09:45:05 +0100
Subject: [PATCH] adapt for k-space potential
---
codes/hf.py | 8 +++++---
1 file changed, 5 insertions(+), 3 deletions(-)
diff --git a/codes/hf.py b/codes/hf.py
index 4f76ea8..713345c 100644
--- a/codes/hf.py
+++ b/codes/hf.py
@@ -273,11 +273,13 @@ def find_groundstate_ham(
"""
model.nk=nk
model.filling=filling
- vectors = utils.generate_vectors(cutoff_Vk, model.dim)
- model.vectors=[*model.int_model.keys()]
+ if model.int_model is not None:
+ model.vectors=[*model.int_model.keys()]
+ else:
+ model.vectors = utils.generate_vectors(cutoff_Vk, model.dim)
if model.guess is None:
model.random_guess(model.vectors)
solver(model, optimizer, optimizer_kwargs)
- model.vectors=[*model.int_model, *model.tb_model.keys()]
+ model.vectors=[*model.vectors, *model.tb_model.keys()]
assert np.allclose((model.mf_k - np.moveaxis(model.mf_k, -1, -2).conj())/2, 0, atol=1e-15)
return utils.hk2tb_model(model.hamiltonians_0 + model.mf_k, model.vectors, model.ks)
--
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