TB2J 0.9.12.3__py3-none-any.whl → 0.9.12.6__py3-none-any.whl

TB2J/__init__.py

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

TB2J/scripts/TB2J_eigen.py

@@ -45,4 +45,5 @@ def write_eigen_info():
     write_eigen(args.qmesh, args.gamma, output_fname=args.output_fname)
 
 
-write_eigen_info()
+if __name__ == "__main__":
+    write_eigen_info()

TB2J/scripts/TB2J_merge.py

@@ -2,7 +2,7 @@
 import argparse
 
 from TB2J.io_merge import merge
-from TB2J.version_info import print_license
+from TB2J.versioninfo import print_license
 
 
 def main():

TB2J/versioninfo.py

@@ -1,7 +1,10 @@
+import importlib.metadata
 from datetime import datetime
 
 import TB2J
 
+__version__ = importlib.metadata.version("TB2J")
+
 
 def print_license():
     print(

{tb2j-0.9.12.3.dist-info → tb2j-0.9.12.6.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: TB2J
-Version: 0.9.12.3
+Version: 0.9.12.6
 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-0.9.12.3.dist-info → tb2j-0.9.12.6.dist-info}/RECORD

@@ -1,11 +1,10 @@
-TB2J/.gitignore,sha256=0Q9EiAAZLJpONgoHwR1XcEskJykFEKfCc45KGH-C3zI,68
 TB2J/Jdownfolder.py,sha256=U6R8v6ZC-AgMA6wvvFPyacXX_lYJcRu1kzNr7aVB1tg,10827
 TB2J/Jtensor.py,sha256=WRhpp5N92a6lA1jeM1hc7jYUoTOLIdMnIIKpdOyzjR4,3192
 TB2J/MAE.py,sha256=fM8U-Dgp9HcQOEeC_kyZV1oVrygBvcux9BraUXVouvY,10994
 TB2J/MAEGreen.py,sha256=zVLjQtFDFcRmC8PYm7MOgKnkOuFJEMKr-eoNBABUsMc,15759
 TB2J/Oiju.py,sha256=cNGv8N5uH_swGq7cnAt2OyiDfqtjLlLrwseGu0E4iaM,3383
 TB2J/Oiju_epc.py,sha256=oytM3NYW7nWmklrGgNlqwIpI_JYv_hb7ZnR4o9nYNog,6809
-TB2J/__init__.py,sha256=YAAbxD7jmHcQEChxg_W2XC1XVHsnPVLBjD_rTl3amc4,25
+TB2J/__init__.py,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
 TB2J/anisotropy.py,sha256=0zmvXkmDmakbBOwGYLa3IIkv5cE99SHLAQJsGoZz7JQ,25463
 TB2J/basis.py,sha256=DFo6_QUwjBwisP6zGxvoO0lpGTMDPAOkiL9giNCjOjA,1558
 TB2J/citation.py,sha256=gcQeyJZaT1Qrtsl8Y3s4neOH3-vvgmIcCvXeV2o3vj0,2891
@@ -37,7 +36,7 @@ TB2J/tensor_rotate.py,sha256=4-DfT_Mg5e40fbd74M5W0D5DqmUq-kVOOLDkkkI834A,8083
 TB2J/thetaphi.py,sha256=Z7N3EOSM7rjHd7b9HxMYLPQO__uR0VwEiV9b471Yudc,399
 TB2J/utest.py,sha256=z_ahi7tpHQF9WlHNQihcQ7qzfezRJQXQt28eB1X_z64,3897
 TB2J/utils.py,sha256=DHkc7BK0KUGesfoAv1OxMgIw_iZzcFXh--3ybsFSd_c,12535
-TB2J/versioninfo.py,sha256=atoCpy6lEcGTCC3xahrxEJjoHgoYVtL41Q_3Ryvp76I,338
+TB2J/versioninfo.py,sha256=saxQPcaJfCExOjEj-fPln1CRbVMCFEV57JUQnf_b3zw,414
 TB2J/downfold/Hdownfolder.py,sha256=EmNy5SCxR-5u64Yprec3PX7H3tvaMj0-jOnsVolDRbs,8152
 TB2J/external/__init__.py,sha256=yD_ZIMi76H49rj6GAQpiB7UlKa3TgSaMkkLHT6M-8w8,137
 TB2J/external/p_tqdm.py,sha256=ug1jy3-43r8iW7bC37xzPSIe0EjYKH_GUluGzMiQiDw,5831
@@ -47,7 +46,6 @@ TB2J/interfaces/lawaf_interface.py,sha256=PieLnmppdafOYsgeHznqOou1g9L1sam5jOm3Ka
 TB2J/interfaces/manager.py,sha256=PQMLEfMCT5GnDWSl2nI4JOgRPm_fysyR-6Y6l97xWcw,860
 TB2J/interfaces/siesta_interface.py,sha256=Te9-Au0ZGAt-LfEnG8exUFD4lMj6uZu8RmHjopb0XLU,7595
 TB2J/interfaces/wannier90_interface.py,sha256=qzRgXUBb7t1Aiegrl_RV51BB8csdtVM0EP0Z4pjmTcs,4467
-TB2J/interfaces/abacus/.gitignore,sha256=Iytg6TR3gOh014q9m7ReuCKYmx-Qi-o3SgILYB2WRtU,20
 TB2J/interfaces/abacus/__init__.py,sha256=leas71oCvM_HxrF4gnO5A_VKcJmDAgsI1BUctLU3OBw,177
 TB2J/interfaces/abacus/abacus_api.py,sha256=lNV4LNkLcKw7Zux4MQYM9wnh3eFTlcSqbf4Pb7pqhrk,7243
 TB2J/interfaces/abacus/abacus_wrapper.py,sha256=bQFnvvy-0hruTavH_VspMk1wD32t2UFybEkCgwkwle0,11941
@@ -82,11 +80,11 @@ TB2J/mathutils/kR_convert.py,sha256=p_9XWJVNanTzTK2rI6KRjTkbSq42la6N448-zJOsMwY,
 TB2J/mathutils/lowdin.py,sha256=RYbm9OcnFnjcZFdC5YcNUsI9cOJmoDLsWSSCaP0GqKQ,499
 TB2J/mathutils/rotate_spin.py,sha256=sPTnwJThfohCHIY7EuzBV2K3mIXcJI5y1QBytGmEKR4,8229
 TB2J/scripts/TB2J_downfold.py,sha256=f1CPuka_uOcvwBKDWAaseRZ04Bqyx_Cor5PvU6LyIsU,2600
-TB2J/scripts/TB2J_eigen.py,sha256=vgy8Fama3J-bep3Ej8oJlDDNq6LFWay6Hr9uaVkoLzM,1143
+TB2J/scripts/TB2J_eigen.py,sha256=LVFoe1xntAnaljRBbVywBSxq0bSQs0tR7ECf8Zf0CS0,1174
 TB2J/scripts/TB2J_magnon.py,sha256=fz9nOv5dMy1e0Dac3eGtiNODvdfTnfLlM7jvYbShiN0,3116
 TB2J/scripts/TB2J_magnon2.py,sha256=mfDrkjK9DpXeKl6jLdACzAD6ArAWBCmC-TPb-vCWpJs,1934
 TB2J/scripts/TB2J_magnon_dos.py,sha256=xQlI6u31Oyv9Yua73_Qa5cF1cnvg1PNrTy1VXs4dcBk,107
-TB2J/scripts/TB2J_merge.py,sha256=Fw9Y4fVmptWWMtOXA71xi4ebPWhsvb6dCSVOga6GguA,2110
+TB2J/scripts/TB2J_merge.py,sha256=Qzo1cZPxCy_-RwcxB6R1u4vnTt8BA_cIoVIEs8nHwS4,2109
 TB2J/scripts/TB2J_plot_magnon_bands.py,sha256=x5WkiI-pkVHqCTa2e5qNWaeAvyXmchqY8BMeTW13dFs,636
 TB2J/scripts/TB2J_rotate.py,sha256=WneOj6NBMDzVlpLXnq9tZqnJqTATfv_zmgl4EltD118,859
 TB2J/scripts/TB2J_rotateDM.py,sha256=lH71mkg0BKDGVLoK7VvmIPkf2mCjyc0V5l9rZZgyfP4,570
@@ -107,9 +105,9 @@ TB2J/spinham/supercell.py,sha256=y17uUC6r3gQb278FhxIW4CABihfLTvKFj6flyXrCPR8,122
 TB2J/wannier/__init__.py,sha256=7ojCbM84PYv1X1Tbo4NHI-d3gWmQsZB_xiYqbfxVV1E,80
 TB2J/wannier/w90_parser.py,sha256=dbd63LuKyv2DVUzqRINGsbDzEsOxsQyE8_Ear_LQIRg,4620
 TB2J/wannier/w90_tb_parser.py,sha256=qt8pnuprmPp9iIAYwPkPbmEzk6ZPgMq2xognoQp7vwc,4610
-tb2j-0.9.12.3.dist-info/licenses/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
-tb2j-0.9.12.3.dist-info/METADATA,sha256=lx-rEx7n_YMV3OHN6bQVX6xIELa-3J_aVX-yn6KeDHA,4138
-tb2j-0.9.12.3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-tb2j-0.9.12.3.dist-info/entry_points.txt,sha256=2Z_kDfyv6rWCsClgeyMqt6H3UXoTOkTmWsJtI3o9FLw,795
-tb2j-0.9.12.3.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
-tb2j-0.9.12.3.dist-info/RECORD,,
+tb2j-0.9.12.6.dist-info/licenses/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
+tb2j-0.9.12.6.dist-info/METADATA,sha256=k_Gt9gEBFuX9zIW9Txetv-TFLpcIc2DCiMBypHbOmbo,4138
+tb2j-0.9.12.6.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+tb2j-0.9.12.6.dist-info/entry_points.txt,sha256=QlTwH3gCmaKBW48nr0FwGTd5LTThTiemw_36u7e1B7o,770
+tb2j-0.9.12.6.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
+tb2j-0.9.12.6.dist-info/RECORD,,

{tb2j-0.9.12.3.dist-info → tb2j-0.9.12.6.dist-info}/entry_points.txt

@@ -1,9 +1,8 @@
 [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_eigen.py = TB2J.scripts.TB2J_eigen:write_eigen_info
+TB2J_magnon.py = TB2J.scripts.TB2J_magnon:plot_magnon
+TB2J_magnon_dos.py = TB2J.plot:command_line_plot_magnon_dos
 TB2J_merge.py = TB2J.scripts.TB2J_merge:main
 TB2J_plot_magnon_bands.py = TB2J.magnon.magnon3:plot_magnon_bands_cli
 TB2J_plot_magnon_dos.py = TB2J.magnon.plot_magnon_dos_cli:main

TB2J/.gitignore

@@ -1,5 +0,0 @@
-*.o
-*.x
-*.mod
-exchanges.sublime-project
-exchanges.sublime-workspace

TB2J/interfaces/abacus/.gitignore

@@ -1,2 +0,0 @@
-TB2J_results/
-*.png