TB2J 0.9.12.8__py3-none-any.whl → 0.9.12.9__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (7) hide show
  1. TB2J/scripts/wann2J.py +1 -1
  2. {tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/METADATA +1 -1
  3. {tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/RECORD +7 -7
  4. {tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/WHEEL +0 -0
  5. {tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/entry_points.txt +0 -0
  6. {tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/licenses/LICENSE +0 -0
  7. {tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/top_level.txt +0 -0
TB2J/scripts/wann2J.py CHANGED
@@ -61,7 +61,7 @@ def run_wann2J():
61
61
  if args.efermi is None:
62
62
  print("Please input fermi energy using --efermi ")
63
63
  sys.exit()
64
- if args.elements is None or args.index_magnetic_atoms is None:
64
+ if args.elements is None and args.index_magnetic_atoms is None:
65
65
  print("Please input the magnetic elements, e.g. --elements Fe Ni")
66
66
  sys.exit()
67
67
 
{tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: TB2J
3
- Version: 0.9.12.8
3
+ Version: 0.9.12.9
4
4
  Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
5
5
  Author-email: Xu He <mailhexu@gmail.com>
6
6
  Maintainer-email: Xu He <mailhexu@gmail.com>
{tb2j-0.9.12.8.dist-info → tb2j-0.9.12.9.dist-info}/RECORD RENAMED
@@ -91,7 +91,7 @@ TB2J/scripts/TB2J_rotateDM.py,sha256=lH71mkg0BKDGVLoK7VvmIPkf2mCjyc0V5l9rZZgyfP4
91
91
  TB2J/scripts/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
92
92
  TB2J/scripts/abacus2J.py,sha256=3DE3EjRIcI0ydBQoH3WTGpYKYMEVL53hnB8PQ4gojdk,1809
93
93
  TB2J/scripts/siesta2J.py,sha256=2CrS-wfVr0W2NaGvY9niNslC0xoX0WgDZFlrmIWUr20,2332
94
- TB2J/scripts/wann2J.py,sha256=lzRqyKWkwlbTp9PZLwFLdFhtVE6twescJxbJ1Uw1r84,3253
94
+ TB2J/scripts/wann2J.py,sha256=djLBG3t4oEimokMG6TIFHyjp8u8DtnizN9coQXOTN7U,3254
95
95
  TB2J/spinham/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
96
96
  TB2J/spinham/base_parser.py,sha256=oQRHvFE_BlUtTaTZykKgvicu40oXcbICB-D1aAt-qlA,2196
97
97
  TB2J/spinham/constants.py,sha256=y4-hRyl5EAR42k24Oa5XhAsUQtKVn1MAgyqNf-p3PrM,762
@@ -105,9 +105,9 @@ TB2J/spinham/supercell.py,sha256=y17uUC6r3gQb278FhxIW4CABihfLTvKFj6flyXrCPR8,122
105
105
  TB2J/wannier/__init__.py,sha256=7ojCbM84PYv1X1Tbo4NHI-d3gWmQsZB_xiYqbfxVV1E,80
106
106
  TB2J/wannier/w90_parser.py,sha256=dbd63LuKyv2DVUzqRINGsbDzEsOxsQyE8_Ear_LQIRg,4620
107
107
  TB2J/wannier/w90_tb_parser.py,sha256=XPh0PNgX_fKYQodDOzZj6DKsvgULMQERU8Kjh4U2xZY,4563
108
- tb2j-0.9.12.8.dist-info/licenses/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
109
- tb2j-0.9.12.8.dist-info/METADATA,sha256=XPEff72kw_twdGi2ruf-uI3rH4Y8AVyphAGf3612y1k,4167
110
- tb2j-0.9.12.8.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
111
- tb2j-0.9.12.8.dist-info/entry_points.txt,sha256=QlTwH3gCmaKBW48nr0FwGTd5LTThTiemw_36u7e1B7o,770
112
- tb2j-0.9.12.8.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
113
- tb2j-0.9.12.8.dist-info/RECORD,,
108
+ tb2j-0.9.12.9.dist-info/licenses/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
109
+ tb2j-0.9.12.9.dist-info/METADATA,sha256=tVp4UlKVBNmZvZqesVfszIWCdhWZafhu8Mdw8PbtEdY,4167
110
+ tb2j-0.9.12.9.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
111
+ tb2j-0.9.12.9.dist-info/entry_points.txt,sha256=QlTwH3gCmaKBW48nr0FwGTd5LTThTiemw_36u7e1B7o,770
112
+ tb2j-0.9.12.9.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
113
+ tb2j-0.9.12.9.dist-info/RECORD,,