From 2596791fcbfb4ff36148c66886930b1e599ce17d Mon Sep 17 00:00:00 2001
From: Kostas Vilkelis <kostasvilkelis@gmail.com>
Date: Tue, 7 May 2024 00:16:03 +0200
Subject: [PATCH] use ndof instead of shape
---
pymf/params/param_transforms.py | 8 ++++----
pymf/params/rparams.py | 2 +-
2 files changed, 5 insertions(+), 5 deletions(-)
diff --git a/pymf/params/param_transforms.py b/pymf/params/param_transforms.py
index 15f28dc..998ab96 100644
--- a/pymf/params/param_transforms.py
+++ b/pymf/params/param_transforms.py
@@ -27,7 +27,7 @@ def tb_to_flat(tb: tb_type) -> np.ndarray:
def flat_to_tb(
tb_param_complex: np.ndarray,
- shape: tuple[int, int],
+ ndof: int,
tb_keys: list[tuple[None] | tuple[int, ...]],
) -> tb_type:
"""Reverse operation to `tb_to_flat`.
@@ -38,9 +38,8 @@ def flat_to_tb(
----------
tb_param_complex :
1d complex array that parametrises the tb model.
- shape :
- Tuple (n, n) where n is the number of internal degrees of freedom
- (e.g. orbitals, spin, sublattice) within the tight-binding model.
+ ndof :
+ Number internal degrees of freedom within the unit cell.
tb_keys :
List of keys of the tight-binding dictionary.
@@ -49,6 +48,7 @@ def flat_to_tb(
tb :
tight-binding dictionary
"""
+ shape = (len(tb_keys), ndof, ndof)
if len(tb_keys[0]) == 0:
matrix = np.zeros((shape[-1], shape[-2]), dtype=complex)
matrix[np.triu_indices(shape[-1])] = tb_param_complex
diff --git a/pymf/params/rparams.py b/pymf/params/rparams.py
index 1ca098c..cbb70be 100644
--- a/pymf/params/rparams.py
+++ b/pymf/params/rparams.py
@@ -45,4 +45,4 @@ def rparams_to_tb(
Tight-biding dictionary.
"""
flat_matrix = real_to_complex(tb_params)
- return flat_to_tb(flat_matrix, (len(tb_keys), ndof, ndof), tb_keys)
+ return flat_to_tb(flat_matrix, ndof, tb_keys)
--
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