TB2J 0.9.10.4__tar.gz → 0.9.11.2__tar.gz

{tb2j-0.9.10.4 → tb2j-0.9.11.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: TB2J
-Version: 0.9.10.4
+Version: 0.9.11.2
 Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
 Author-email: Xu He <mailhexu@gmail.com>
 Maintainer-email: Xu He <mailhexu@gmail.com>

tb2j-0.9.11.2/TB2J/__init__.py

@@ -0,0 +1 @@
+__version__ = "0.9.10.3"

{tb2j-0.9.10.4 → tb2j-0.9.11.2/TB2J}/scripts/TB2J_eigen.py

@@ -1,7 +1,8 @@
 #!/usr/bin/env python3
+import argparse
+
 from TB2J.plot import write_eigen
 from TB2J.versioninfo import print_license
-import argparse
 
 """
 The script to plot the magnon band structure.

{tb2j-0.9.10.4 → tb2j-0.9.11.2/TB2J}/scripts/TB2J_magnon.py

@@ -1,7 +1,8 @@
 #!/usr/bin/env python3
+import argparse
+
 from TB2J.plot import plot_magnon_band, write_eigen
 from TB2J.versioninfo import print_license
-import argparse
 
 """
 The script to plot the magnon band structure.

tb2j-0.9.11.2/TB2J/scripts/TB2J_magnon_dos.py

@@ -0,0 +1,5 @@
+#!/usr/bin/env python3
+
+from TB2J.plot import command_line_plot_magnon_dos
+
+command_line_plot_magnon_dos()

{tb2j-0.9.10.4 → tb2j-0.9.11.2/TB2J}/scripts/TB2J_rotate.py

@@ -1,6 +1,7 @@
 #!/usr/bin/env python3
 import argparse
-from TB2J.rotate_atoms import rotate_atom_xyz, rotate_xyz, check_ftype
+
+from TB2J.rotate_atoms import rotate_xyz
 
 
 def main():
@@ -17,7 +18,7 @@ def main():
     parser.add_argument(
         "--noncollinear",
         action="store_true",
-        help="If present, six different configurations will be generated. These are required for non-collinear systems."
+        help="If present, six different configurations will be generated. These are required for non-collinear systems.",
     )
 
     args = parser.parse_args()

{tb2j-0.9.10.4 → tb2j-0.9.11.2/TB2J}/scripts/TB2J_rotateDM.py

@@ -1,16 +1,16 @@
 #!/usr/bin/env python3
 import argparse
+
 from TB2J.rotate_siestaDM import rotate_DM
 
+
 def main():
     parser = argparse.ArgumentParser(description="")
-    parser.add_argument(
-        "--fdf_fname", help="Name of the *.fdf siesta file."
-    )
+    parser.add_argument("--fdf_fname", help="Name of the *.fdf siesta file.")
     parser.add_argument(
         "--noncollinear",
         action="store_true",
-        help="If present, six different configurations will be generated. These are required for non-collinear systems."
+        help="If present, six different configurations will be generated. These are required for non-collinear systems.",
     )
 
     args = parser.parse_args()

{tb2j-0.9.10.4 → tb2j-0.9.11.2}/TB2J.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: TB2J
-Version: 0.9.10.4
+Version: 0.9.11.2
 Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
 Author-email: Xu He <mailhexu@gmail.com>
 Maintainer-email: Xu He <mailhexu@gmail.com>

{tb2j-0.9.10.4 → tb2j-0.9.11.2}/TB2J.egg-info/SOURCES.txt

@@ -88,6 +88,19 @@ TB2J/mathutils/fibonacci_sphere.py
 TB2J/mathutils/kR_convert.py
 TB2J/mathutils/lowdin.py
 TB2J/mathutils/rotate_spin.py
+TB2J/scripts/TB2J_downfold.py
+TB2J/scripts/TB2J_eigen.py
+TB2J/scripts/TB2J_magnon.py
+TB2J/scripts/TB2J_magnon2.py
+TB2J/scripts/TB2J_magnon_dos.py
+TB2J/scripts/TB2J_merge.py
+TB2J/scripts/TB2J_plot_magnon_bands.py
+TB2J/scripts/TB2J_rotate.py
+TB2J/scripts/TB2J_rotateDM.py
+TB2J/scripts/__init__.py
+TB2J/scripts/abacus2J.py
+TB2J/scripts/siesta2J.py
+TB2J/scripts/wann2J.py
 TB2J/spinham/__init__.py
 TB2J/spinham/base_parser.py
 TB2J/spinham/constants.py
@@ -100,16 +113,4 @@ TB2J/spinham/spin_xml.py
 TB2J/spinham/supercell.py
 TB2J/wannier/__init__.py
 TB2J/wannier/w90_parser.py
-TB2J/wannier/w90_tb_parser.py
-scripts/TB2J_downfold.py
-scripts/TB2J_eigen.py
-scripts/TB2J_magnon.py
-scripts/TB2J_magnon2.py
-scripts/TB2J_magnon_dos.py
-scripts/TB2J_merge.py
-scripts/TB2J_plot_magnon_bands.py
-scripts/TB2J_rotate.py
-scripts/TB2J_rotateDM.py
-scripts/abacus2J.py
-scripts/siesta2J.py
-scripts/wann2J.py
+TB2J/wannier/w90_tb_parser.py

tb2j-0.9.11.2/TB2J.egg-info/entry_points.txt

@@ -0,0 +1,16 @@
+[console_scripts]
+TB2J_downfold.py = TB2J.scripts.TB2J_downfold:main
+TB2J_eigen.py = TB2J.scripts.TB2J_eigen:main
+TB2J_magnon.py = TB2J.scripts.TB2J_magnon:main
+TB2J_magnon2.py = TB2J.scripts.TB2J_magnon2:main
+TB2J_magnon_dos.py = TB2J.scripts.TB2J_magnon_dos:main
+TB2J_merge.py = TB2J.scripts.TB2J_merge:main
+TB2J_plot_magnon_bands.py = TB2J.scripts.TB2J_plot_magnon_bands:main
+TB2J_plot_magnon_dos.py = TB2J.magnon.plot_magnon_dos_cli:main
+TB2J_rotate.py = TB2J.scripts.TB2J_rotate:main
+TB2J_rotateDM.py = TB2J.scripts.TB2J_rotateDM:main
+TB2J_symmetrize.py = TB2J.symmetrize_J:symmetrize_J_cli
+abacus2J.py = TB2J.scripts.abacus2J:run_abacus2J
+lawaf2J.py = TB2J.interfaces.lawaf_interface:lawaf2J_cli
+siesta2J.py = TB2J.scripts.siesta2J:run_siesta2J
+wann2J.py = TB2J.scripts.wann2J:run_wann2J

{tb2j-0.9.10.4 → tb2j-0.9.11.2}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "TB2J"
-version = "0.9.10.4"
+version = "0.9.11.2"
 description = "TB2J: First principle to Heisenberg exchange J using tight-binding Green function method"
 readme = "README.md"
 license = { text = "BSD-2-Clause" }
@@ -54,18 +54,18 @@ Repository = "https://github.com/mailhexu/TB2J"
 Issues = "https://github.com/mailhexu/TB2J/issues"
 
 [project.scripts]
-"wann2J.py" = "scripts.wann2J:run_wann2J"
-"siesta2J.py" = "scripts.siesta2J:run_siesta2J"
-"abacus2J.py" = "scripts.abacus2J:run_abacus2J"
-"TB2J_rotate.py" = "scripts.TB2J_rotate:main"
-"TB2J_rotateDM.py" = "scripts.TB2J_rotateDM:main"
-"TB2J_merge.py" = "scripts.TB2J_merge:main"
-"TB2J_magnon.py" = "scripts.TB2J_magnon:main"
-"TB2J_magnon2.py" = "scripts.TB2J_magnon2:main"
-"TB2J_magnon_dos.py" = "scripts.TB2J_magnon_dos:main"
-"TB2J_downfold.py" = "scripts.TB2J_downfold:main"
-"TB2J_eigen.py" = "scripts.TB2J_eigen:main"
-"TB2J_plot_magnon_bands.py" = "scripts.TB2J_plot_magnon_bands:main"
+"wann2J.py" = "TB2J.scripts.wann2J:run_wann2J"
+"siesta2J.py" = "TB2J.scripts.siesta2J:run_siesta2J"
+"abacus2J.py" = "TB2J.scripts.abacus2J:run_abacus2J"
+"TB2J_rotate.py" = "TB2J.scripts.TB2J_rotate:main"
+"TB2J_rotateDM.py" = "TB2J.scripts.TB2J_rotateDM:main"
+"TB2J_merge.py" = "TB2J.scripts.TB2J_merge:main"
+"TB2J_magnon.py" = "TB2J.scripts.TB2J_magnon:main"
+"TB2J_magnon2.py" = "TB2J.scripts.TB2J_magnon2:main"
+"TB2J_magnon_dos.py" = "TB2J.scripts.TB2J_magnon_dos:main"
+"TB2J_downfold.py" = "TB2J.scripts.TB2J_downfold:main"
+"TB2J_eigen.py" = "TB2J.scripts.TB2J_eigen:main"
+"TB2J_plot_magnon_bands.py" = "TB2J.scripts.TB2J_plot_magnon_bands:main"
 "TB2J_symmetrize.py" = "TB2J.symmetrize_J:symmetrize_J_cli"
 "lawaf2J.py" = "TB2J.interfaces.lawaf_interface:lawaf2J_cli"
 "TB2J_plot_magnon_dos.py" = "TB2J.magnon.plot_magnon_dos_cli:main"

tb2j-0.9.10.4/TB2J/__init__.py

@@ -1 +0,0 @@
-__version__ = "0.9.9.14"

tb2j-0.9.10.4/TB2J.egg-info/entry_points.txt

@@ -1,16 +0,0 @@
-[console_scripts]
-TB2J_downfold.py = scripts.TB2J_downfold:main
-TB2J_eigen.py = scripts.TB2J_eigen:main
-TB2J_magnon.py = scripts.TB2J_magnon:main
-TB2J_magnon2.py = scripts.TB2J_magnon2:main
-TB2J_magnon_dos.py = scripts.TB2J_magnon_dos:main
-TB2J_merge.py = scripts.TB2J_merge:main
-TB2J_plot_magnon_bands.py = scripts.TB2J_plot_magnon_bands:main
-TB2J_plot_magnon_dos.py = TB2J.magnon.plot_magnon_dos_cli:main
-TB2J_rotate.py = scripts.TB2J_rotate:main
-TB2J_rotateDM.py = scripts.TB2J_rotateDM:main
-TB2J_symmetrize.py = TB2J.symmetrize_J:symmetrize_J_cli
-abacus2J.py = scripts.abacus2J:run_abacus2J
-lawaf2J.py = TB2J.interfaces.lawaf_interface:lawaf2J_cli
-siesta2J.py = scripts.siesta2J:run_siesta2J
-wann2J.py = scripts.wann2J:run_wann2J

tb2j-0.9.10.4/scripts/TB2J_magnon_dos.py

@@ -1,5 +0,0 @@
-#!/usr/bin/env python3
-
-from TB2J.plot import plot_magnon_dos, command_line_plot_magnon_dos
-
-command_line_plot_magnon_dos()