TB2J 0.9.0.4__py3-none-any.whl → 0.9.0.5__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 (17) hide show
  1. TB2J/Jdownfolder.py +1 -1
  2. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_downfold.py +2 -2
  3. {TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/METADATA +1 -1
  4. {TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/RECORD +17 -17
  5. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_eigen.py +0 -0
  6. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_magnon.py +0 -0
  7. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_magnon_dos.py +0 -0
  8. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_merge.py +0 -0
  9. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_rotate.py +0 -0
  10. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_rotateDM.py +0 -0
  11. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/abacus2J.py +0 -0
  12. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/siesta2J.py +0 -0
  13. {TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/wann2J.py +0 -0
  14. {TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/LICENSE +0 -0
  15. {TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/WHEEL +0 -0
  16. {TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/entry_points.txt +0 -0
  17. {TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/top_level.txt +0 -0
TB2J/Jdownfolder.py CHANGED
@@ -174,7 +174,7 @@ class JDownfolder_pickle:
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  def _downfold(self, **kwargs):
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  JR2 = self.exc.get_full_Jtensor_for_Rlist(asr=True)
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- if self.method == "lowdin":
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+ if self.method.strip().lower() == "lowdin":
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  d = JDownfolder(
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  JR2,
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  self.exc.Rlist,
{TB2J-0.9.0.4.data → TB2J-0.9.0.5.data}/scripts/TB2J_downfold.py RENAMED
@@ -60,9 +60,9 @@ def main():
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  parser.add_argument(
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  "--method",
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- help="The method to downfold the exchange parameter. Options are Lowdin and PWF (projected Wannier function). ",
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+ help="The method to downfold the exchange parameter. Options are lowdin and PWF (projected Wannier function). ",
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  type=str,
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- default="Lowdin",
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+ default="lowdin",
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  )
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  args = parser.parse_args()
{TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: TB2J
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- Version: 0.9.0.4
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+ Version: 0.9.0.5
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  Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
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  Author: Xu He
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  Author-email: mailhexu@gmail.com
{TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/RECORD RENAMED
@@ -1,4 +1,4 @@
1
- TB2J/Jdownfolder.py,sha256=Mr6L9OncoAAL8oHehjMf6unp7a1Pv78smQOw6c_8nAc,9600
1
+ TB2J/Jdownfolder.py,sha256=zePG1SXj0gELBrfGsN4pulWmUa6VqgIurfAL0mLQrOI,9616
2
2
  TB2J/Jtensor.py,sha256=t6OsqrSlYW6Im4H7ykVAW8Al_pFXN4C5yj2UEsV6r7g,3181
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3
  TB2J/MAE.py,sha256=-KWqxjKJvPFuxsMjm0c3nESyUFDeFTqsV7QzPJN-Fxo,7579
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  TB2J/Oiju.py,sha256=cNGv8N5uH_swGq7cnAt2OyiDfqtjLlLrwseGu0E4iaM,3383
@@ -79,19 +79,19 @@ TB2J/spinham/supercell.py,sha256=y17uUC6r3gQb278FhxIW4CABihfLTvKFj6flyXrCPR8,122
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  TB2J/wannier/__init__.py,sha256=7ojCbM84PYv1X1Tbo4NHI-d3gWmQsZB_xiYqbfxVV1E,80
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  TB2J/wannier/w90_parser.py,sha256=dbd63LuKyv2DVUzqRINGsbDzEsOxsQyE8_Ear_LQIRg,4620
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  TB2J/wannier/w90_tb_parser.py,sha256=qt8pnuprmPp9iIAYwPkPbmEzk6ZPgMq2xognoQp7vwc,4610
82
- TB2J-0.9.0.4.data/scripts/TB2J_downfold.py,sha256=i4BVqnpDdgrX_amookVWeLGefGBn-qeAutWiwuY9SfQ,2099
83
- TB2J-0.9.0.4.data/scripts/TB2J_eigen.py,sha256=Qs9v2hnMm2Tpfoa4h53muUKty2dZjwx8948MBoQooNg,1128
84
- TB2J-0.9.0.4.data/scripts/TB2J_magnon.py,sha256=q7UwAmorRcFNk4tfE7gl_ny05l6p7pbD9Wm_LkIpKEw,3101
85
- TB2J-0.9.0.4.data/scripts/TB2J_magnon_dos.py,sha256=TMXQvD2dIbO5FZ4tUMmxJgCgH2O2hDAPUNfEKO4z-x4,110
86
- TB2J-0.9.0.4.data/scripts/TB2J_merge.py,sha256=y834SF4rIRn1L1ptkhczvavQpC-8Px6DTmDOOSaq_DE,1854
87
- TB2J-0.9.0.4.data/scripts/TB2J_rotate.py,sha256=zgiDFuYZNmzKK0rwDmTaYD2OpRlmKA_VGeBx83w2Xwc,873
88
- TB2J-0.9.0.4.data/scripts/TB2J_rotateDM.py,sha256=kCvF7gotuqAX1VnJ06cwfVm7RrhrdtiV5v7d9P2Pn_E,567
89
- TB2J-0.9.0.4.data/scripts/abacus2J.py,sha256=M4B07lvTCDczTPTqvnDh_PERzCARAd09TLKv4aIdSQM,4408
90
- TB2J-0.9.0.4.data/scripts/siesta2J.py,sha256=hBzS7ZgoHM3oXlTCQd-xVA07Ks2FiIwyRpQWUFITRPE,4303
91
- TB2J-0.9.0.4.data/scripts/wann2J.py,sha256=2t2hWwyELskYCwkGDziCgiIAnfr6odLLJ6cQBJ2RQwQ,5714
92
- TB2J-0.9.0.4.dist-info/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
93
- TB2J-0.9.0.4.dist-info/METADATA,sha256=N4p9P0wk_sV5xcSXikUnARnpDGs7FzEuXmQZ3pteyv4,1450
94
- TB2J-0.9.0.4.dist-info/WHEEL,sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ,91
95
- TB2J-0.9.0.4.dist-info/entry_points.txt,sha256=RSoZk48jLcnVLGipFtQ3sFs9S7gbaMbX8VzVWomHjcg,74
96
- TB2J-0.9.0.4.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
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- TB2J-0.9.0.4.dist-info/RECORD,,
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+ TB2J-0.9.0.5.data/scripts/TB2J_downfold.py,sha256=BBq2qScl8tT4mpykr5HdM1bQZv4OY2zlwyw8SK_pBKQ,2099
83
+ TB2J-0.9.0.5.data/scripts/TB2J_eigen.py,sha256=Qs9v2hnMm2Tpfoa4h53muUKty2dZjwx8948MBoQooNg,1128
84
+ TB2J-0.9.0.5.data/scripts/TB2J_magnon.py,sha256=q7UwAmorRcFNk4tfE7gl_ny05l6p7pbD9Wm_LkIpKEw,3101
85
+ TB2J-0.9.0.5.data/scripts/TB2J_magnon_dos.py,sha256=TMXQvD2dIbO5FZ4tUMmxJgCgH2O2hDAPUNfEKO4z-x4,110
86
+ TB2J-0.9.0.5.data/scripts/TB2J_merge.py,sha256=y834SF4rIRn1L1ptkhczvavQpC-8Px6DTmDOOSaq_DE,1854
87
+ TB2J-0.9.0.5.data/scripts/TB2J_rotate.py,sha256=zgiDFuYZNmzKK0rwDmTaYD2OpRlmKA_VGeBx83w2Xwc,873
88
+ TB2J-0.9.0.5.data/scripts/TB2J_rotateDM.py,sha256=kCvF7gotuqAX1VnJ06cwfVm7RrhrdtiV5v7d9P2Pn_E,567
89
+ TB2J-0.9.0.5.data/scripts/abacus2J.py,sha256=M4B07lvTCDczTPTqvnDh_PERzCARAd09TLKv4aIdSQM,4408
90
+ TB2J-0.9.0.5.data/scripts/siesta2J.py,sha256=hBzS7ZgoHM3oXlTCQd-xVA07Ks2FiIwyRpQWUFITRPE,4303
91
+ TB2J-0.9.0.5.data/scripts/wann2J.py,sha256=2t2hWwyELskYCwkGDziCgiIAnfr6odLLJ6cQBJ2RQwQ,5714
92
+ TB2J-0.9.0.5.dist-info/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
93
+ TB2J-0.9.0.5.dist-info/METADATA,sha256=RYC3Ffd5S4P7GX28NCjIrO1QDp1BPTBkjkVAihabUwg,1450
94
+ TB2J-0.9.0.5.dist-info/WHEEL,sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ,91
95
+ TB2J-0.9.0.5.dist-info/entry_points.txt,sha256=RSoZk48jLcnVLGipFtQ3sFs9S7gbaMbX8VzVWomHjcg,74
96
+ TB2J-0.9.0.5.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
97
+ TB2J-0.9.0.5.dist-info/RECORD,,
{TB2J-0.9.0.4.dist-info → TB2J-0.9.0.5.dist-info}/WHEEL RENAMED
File without changes