TB2J 0.9.9rc8__tar.gz → 0.9.9rc10__tar.gz

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: TB2J
-Version: 0.9.9rc8
+Version: 0.9.9rc10
 Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
 Author: Xu He
 Author-email: mailhexu@gmail.com
@@ -21,9 +21,10 @@ Requires-Dist: ase>=3.19
 Requires-Dist: tqdm
 Requires-Dist: pathos
 Requires-Dist: packaging>=20.0
-Requires-Dist: HamiltonIO>=0.1.9
+Requires-Dist: HamiltonIO>=0.1.10
 Requires-Dist: pre-commit
 Requires-Dist: sympair>0.1.0
+Requires-Dist: sisl>=0.9.0
 Dynamic: author
 Dynamic: author-email
 Dynamic: classifier

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/TB2J/rotate_siestaDM.py

@@ -1,7 +1,7 @@
 import sisl
 
 def rotate_siesta_DM(DM, noncollinear=False):
-    
+
     angles_list = [ [0.0, 90.0, 0.0], [0.0, 90.0, 90.0] ]
     if noncollinear:
         angles_list += [[0.0, 45.0, 0.0], [0.0, 90.0, 45.0], [0.0, 45.0, 90.0]]
@@ -10,7 +10,6 @@ def rotate_siesta_DM(DM, noncollinear=False):
         yield DM.spin_rotate(angles)
 
 def read_label(fdf_fname):
-
     label = 'siesta'
     with open(fdf_fname, 'r') as File:
         for line in File:

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/TB2J.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: TB2J
-Version: 0.9.9rc8
+Version: 0.9.9rc10
 Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
 Author: Xu He
 Author-email: mailhexu@gmail.com
@@ -21,9 +21,10 @@ Requires-Dist: ase>=3.19
 Requires-Dist: tqdm
 Requires-Dist: pathos
 Requires-Dist: packaging>=20.0
-Requires-Dist: HamiltonIO>=0.1.9
+Requires-Dist: HamiltonIO>=0.1.10
 Requires-Dist: pre-commit
 Requires-Dist: sympair>0.1.0
+Requires-Dist: sisl>=0.9.0
 Dynamic: author
 Dynamic: author-email
 Dynamic: classifier

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/TB2J.egg-info/SOURCES.txt

@@ -106,6 +106,8 @@ docs/conf.py
 docs/index.rst
 docs/make.bat
 docs/requirements.txt
+docs/_static/Logo-ULG.png
+docs/_static/logo_TB2J_horizon.png
 docs/src/BFOvarT.png
 docs/src/Contributors.rst
 docs/src/ReleaseNotes.md

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/TB2J.egg-info/requires.txt

@@ -5,6 +5,7 @@ ase>=3.19
 tqdm
 pathos
 packaging>=20.0
-HamiltonIO>=0.1.9
+HamiltonIO>=0.1.10
 pre-commit
 sympair>0.1.0
+sisl>=0.9.0

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/docs/conf.py

@@ -59,3 +59,9 @@ html_theme = "sphinx_rtd_theme"
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
 html_static_path = ["_static"]
+
+html_logo = "_static/TB2J_logo_horizon.png"
+html_theme_options = {
+    "logo_only": True,
+    "display_version": False,
+}

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/requirements.txt

@@ -7,4 +7,5 @@ tqdm>=4.42.0
 pathos
 packaging>=20.0
 sympair>=0.1.0
+sisl>=0.9.0
 pre-commit

{tb2j-0.9.9rc8 → tb2j-0.9.9rc10}/setup.py

@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 from setuptools import find_packages, setup
 
-__version__ = "0.9.9_rc8"
+__version__ = "0.9.9_rc10"
 
 long_description = """TB2J is a Python package aimed to compute automatically the magnetic interactions (superexchange  and Dzyaloshinskii-Moriya) between atoms of magnetic crystals from DFT Hamiltonian based on Wannier functions or Linear combination of atomic orbitals. It uses the Green's function method and take the local rigid spin rotation as a perturbation. The package can take the output from Wannier90, which is interfaced with many density functional theory codes or from codes based on localised orbitals. A minimal user input is needed, which allows for an easily integration into a high-throughput workflows. """
 
@@ -40,9 +40,10 @@ setup(
         "tqdm",
         "pathos",
         "packaging>=20.0",
-        "HamiltonIO>=0.1.9",
+        "HamiltonIO>=0.1.10",
         "pre-commit",
         "sympair>0.1.0",
+        "sisl>=0.9.0",
     ],
     classifiers=[
         "Development Status :: 3 - Alpha",