TB2J 0.9.10.1__py3-none-any.whl → 0.9.12.17__py3-none-any.whl

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Files changed (49) hide show
  1. TB2J/.gitignore +5 -0
  2. TB2J/Jdownfolder.py +43 -19
  3. TB2J/MAEGreen.py +78 -60
  4. TB2J/__init__.py +3 -1
  5. TB2J/anisotropy.py +2 -2
  6. TB2J/basis.py +0 -3
  7. TB2J/contour.py +3 -2
  8. TB2J/exchange.py +335 -48
  9. TB2J/exchangeCL2.py +289 -51
  10. TB2J/exchange_params.py +25 -1
  11. TB2J/gpaw_wrapper.py +0 -3
  12. TB2J/green.py +58 -33
  13. TB2J/interfaces/wannier90_interface.py +4 -4
  14. TB2J/io_exchange/io_espins.py +276 -0
  15. TB2J/io_exchange/io_exchange.py +53 -12
  16. TB2J/io_exchange/io_txt.py +9 -8
  17. TB2J/io_exchange/io_uppasd.py +0 -1
  18. TB2J/io_exchange/io_vampire.py +3 -1
  19. TB2J/magnon/magnon3.py +76 -28
  20. TB2J/magnon/plot_magnon_dos_cli.py +115 -3
  21. TB2J/myTB.py +11 -11
  22. TB2J/pauli.py +32 -2
  23. TB2J/plot.py +8 -7
  24. TB2J/rotate_atoms.py +10 -7
  25. TB2J/scripts/TB2J_downfold.py +97 -0
  26. TB2J/scripts/TB2J_eigen.py +49 -0
  27. TB2J/scripts/TB2J_magnon.py +117 -0
  28. TB2J/scripts/TB2J_magnon2.py +78 -0
  29. TB2J/scripts/TB2J_magnon_dos.py +5 -0
  30. TB2J/scripts/TB2J_merge.py +49 -0
  31. TB2J/scripts/TB2J_plot_magnon_bands.py +22 -0
  32. TB2J/scripts/TB2J_rotate.py +29 -0
  33. TB2J/scripts/TB2J_rotateDM.py +21 -0
  34. TB2J/scripts/__init__.py +0 -0
  35. TB2J/scripts/abacus2J.py +61 -0
  36. TB2J/scripts/siesta2J.py +78 -0
  37. TB2J/scripts/wann2J.py +101 -0
  38. TB2J/spinham/hamiltonian.py +0 -1
  39. TB2J/symmetrize_J.py +2 -2
  40. TB2J/tensor_rotate.py +1 -2
  41. TB2J/versioninfo.py +3 -0
  42. TB2J/wannier/w90_tb_parser.py +0 -2
  43. {tb2j-0.9.10.1.dist-info → tb2j-0.9.12.17.dist-info}/METADATA +7 -7
  44. {tb2j-0.9.10.1.dist-info → tb2j-0.9.12.17.dist-info}/RECORD +48 -33
  45. tb2j-0.9.12.17.dist-info/entry_points.txt +15 -0
  46. tb2j-0.9.10.1.dist-info/entry_points.txt +0 -16
  47. {tb2j-0.9.10.1.dist-info → tb2j-0.9.12.17.dist-info}/WHEEL +0 -0
  48. {tb2j-0.9.10.1.dist-info → tb2j-0.9.12.17.dist-info}/licenses/LICENSE +0 -0
  49. {tb2j-0.9.10.1.dist-info → tb2j-0.9.12.17.dist-info}/top_level.txt +0 -0
{tb2j-0.9.10.1.dist-info → tb2j-0.9.12.17.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: TB2J
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- Version: 0.9.10.1
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+ Version: 0.9.12.17
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  Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
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  Author-email: Xu He <mailhexu@gmail.com>
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  Maintainer-email: Xu He <mailhexu@gmail.com>
@@ -23,30 +23,30 @@ Classifier: Intended Audience :: Science/Research
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  Classifier: Topic :: Scientific/Engineering :: Chemistry
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  Classifier: Topic :: Scientific/Engineering :: Physics
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  Classifier: License :: OSI Approved :: BSD License
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- Requires-Python: >=3.6
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  Description-Content-Type: text/markdown
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  License-File: LICENSE
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- Requires-Dist: numpy<2.0
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+ Requires-Dist: numpy
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  Requires-Dist: scipy
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  Requires-Dist: matplotlib
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  Requires-Dist: ase>=3.19
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  Requires-Dist: tqdm
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  Requires-Dist: pathos
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  Requires-Dist: packaging>=20.0
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- Requires-Dist: HamiltonIO>=0.2.4
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+ Requires-Dist: HamiltonIO>=0.2.8
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  Requires-Dist: pre-commit
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- Requires-Dist: sympair>0.1.0
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+ Requires-Dist: sympair>0.1.1
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  Requires-Dist: tomli>=2.0.0
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  Requires-Dist: tomli-w>=1.0.0
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+ Requires-Dist: typing_extensions
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  Provides-Extra: siesta
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  Requires-Dist: sisl>=0.9.0; extra == "siesta"
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  Requires-Dist: netcdf4; extra == "siesta"
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  Provides-Extra: lawaf
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- Requires-Dist: lawaf==0.2.3; extra == "lawaf"
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+ Requires-Dist: lawaf>=0.2.3; extra == "lawaf"
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  Provides-Extra: all
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  Requires-Dist: sisl>=0.9.0; extra == "all"
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  Requires-Dist: netcdf4; extra == "all"
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- Requires-Dist: lawaf==0.2.3; extra == "all"
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+ Requires-Dist: lawaf>=0.2.3; extra == "all"
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  Dynamic: license-file
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  [![Python application](https://github.com/mailhexu/TB2J/actions/workflows/python-app.yml/badge.svg)](https://github.com/mailhexu/TB2J/actions/workflows/python-app.yml)
{tb2j-0.9.10.1.dist-info → tb2j-0.9.12.17.dist-info}/RECORD RENAMED
@@ -1,42 +1,43 @@
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- TB2J/Jdownfolder.py,sha256=ZKF0AVnwaJ4DPKfQ28NsJXhpOZE9_rsusEFtNCm5kls,9675
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+ TB2J/.gitignore,sha256=0Q9EiAAZLJpONgoHwR1XcEskJykFEKfCc45KGH-C3zI,68
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+ TB2J/Jdownfolder.py,sha256=K8WrvU_5daH7eQgB53VymJPFRWZoOMlvQGgIca9GNt0,10885
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  TB2J/Jtensor.py,sha256=WRhpp5N92a6lA1jeM1hc7jYUoTOLIdMnIIKpdOyzjR4,3192
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  TB2J/MAE.py,sha256=fM8U-Dgp9HcQOEeC_kyZV1oVrygBvcux9BraUXVouvY,10994
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- TB2J/MAEGreen.py,sha256=zVLjQtFDFcRmC8PYm7MOgKnkOuFJEMKr-eoNBABUsMc,15759
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+ TB2J/MAEGreen.py,sha256=ytwu9mck0bourYG-e4_d2dcSmM2fxxzviHGowqShx-s,17011
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  TB2J/Oiju.py,sha256=cNGv8N5uH_swGq7cnAt2OyiDfqtjLlLrwseGu0E4iaM,3383
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  TB2J/Oiju_epc.py,sha256=oytM3NYW7nWmklrGgNlqwIpI_JYv_hb7ZnR4o9nYNog,6809
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- TB2J/__init__.py,sha256=VIRI2sifGP0sSwxkmWEp9IvuVn2fBhvrNpmqbwLrG8s,25
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- TB2J/anisotropy.py,sha256=0zmvXkmDmakbBOwGYLa3IIkv5cE99SHLAQJsGoZz7JQ,25463
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- TB2J/basis.py,sha256=DFo6_QUwjBwisP6zGxvoO0lpGTMDPAOkiL9giNCjOjA,1558
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+ TB2J/__init__.py,sha256=4snBkP_Q_-pFYbLHVoTWZ35Oo5zCX6tsPQ0_L8DKfFo,76
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+ TB2J/anisotropy.py,sha256=VaIDM_4IPT9dWkzruVWiR99FbcCbp5cn1LiNuqI-zv0,25465
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+ TB2J/basis.py,sha256=yoVL-jLGJ8ykdsMX3MpnjeNsAA_F07jy53HQ60bnt3o,1479
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  TB2J/citation.py,sha256=gcQeyJZaT1Qrtsl8Y3s4neOH3-vvgmIcCvXeV2o3vj0,2891
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- TB2J/contour.py,sha256=zLHQZZ3hhgLkLFPATCraLOJyLJKLC0fba_L_5sRz23o,3246
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+ TB2J/contour.py,sha256=qavPsWiyR3IFm8uJlioZZI0I2PlJV_vNTwXVwipJwy0,3310
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  TB2J/density_matrix.py,sha256=D5k8Oe21OCiLVORNYbo4TZOFG0slrQSbj91kJ3TMFjs,1514
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  TB2J/epc.py,sha256=zLbtqZJhDr8DnnGN6YENcXwrMb3Qxu6KB08mLy9Pw20,3474
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- TB2J/exchange.py,sha256=-BEXSQqx374cRbJWjvjyJAZkchzNK1uPUDvTYox3Axs,26982
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- TB2J/exchangeCL2.py,sha256=P7bklMXVYX_tn9DbjEPqeTir1SeZyfPBIP1fhWUzLmY,11419
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- TB2J/exchange_params.py,sha256=VW9nGVio6M_Ub9-36L_LExhjgdD1E_joYpI8AxmM360,8029
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+ TB2J/exchange.py,sha256=kl-pmyNAu02FzAkeqy7nrXi97HQlmw7ByM2LllHVzsk,39547
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+ TB2J/exchangeCL2.py,sha256=pi547zshbo1SDegw32tpONKEc4RJ2w1urjgGc6opJQ8,22116
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+ TB2J/exchange_params.py,sha256=LxV9P9tui4FGqTa-lyahzKO0UcoGU2ZKyMPGVl0YsS4,9071
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  TB2J/exchange_pert.py,sha256=jmFMtQbYa_uczM4VAeS6TijkIHRFIqEzZJswzE9Wfuo,8523
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  TB2J/exchange_qspace.py,sha256=ZL68qBGFUaQ9BsSPsJaaoWOr9RssPiqX34R_9I3nk_8,8436
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- TB2J/gpaw_wrapper.py,sha256=aJ--9Dtyq7jOP1Hkh-Sh1nWcfXm6zKcljOCO0DNCAr0,6890
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- TB2J/green.py,sha256=ySXjoV3Cj_E2C41dRfc3TkS7M4vmM6qcHXkt-_-jxsY,17071
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+ TB2J/gpaw_wrapper.py,sha256=cnXwDDN-pcfxRI3o5OTNjgql8CkxylltFZy9bDxOffU,6813
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+ TB2J/green.py,sha256=cPX6rx5Ed-TYCt_yREq5kBsxbm7j7nMtsa8H5zTHVIw,18139
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  TB2J/greentest.py,sha256=2ISSfhor9ecSEOi_E6b4Cv26wEIQlwlzca0ru8z44_E,1603
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  TB2J/io_merge.py,sha256=mgoc8ZUP_a_g-9KvWWISp25qo6aBJ8TQsDsBrMSB5nk,7509
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  TB2J/kpoints.py,sha256=9L7tBarFBHoIhpuc9zuwA6HdnlgH834SQrPek4yRoWk,3191
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- TB2J/myTB.py,sha256=ok_B4my29bOIghMSZfx0Es6G8FaXaIiLP4gPxTdSj00,17659
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+ TB2J/myTB.py,sha256=6fP6ZlHxejUzgglr0b_hsxv137sQrltozladTKSczFo,17603
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  TB2J/mycfr.py,sha256=ZF1PEE2khlKd_4gPyMkoNXepX3XqwWAL2kDbRJNVX-Y,3908
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  TB2J/orbital_magmom.py,sha256=JTwO9ZDgRRQndqR9aFIua4eTvwLMoGsTiY_HaIPMZ2I,889
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  TB2J/orbmap.py,sha256=XLQjKMxCy2eADaM5eb2F_zG08V7lzpXJxp5uEtTeVYI,7194
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- TB2J/pauli.py,sha256=ESpAhk6LG5ugzuW1YFUTqiDxcg-pQ7wNnzR2FtUnvKM,5295
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+ TB2J/pauli.py,sha256=XHXFBLiGYl0X67mcIgtwjKXrH0IN16ueoQS392x1AM0,6218
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  TB2J/pert.py,sha256=RaCJfewl0doht4cjAnzzGKe-uj2le4aqe0iPKFrq9fo,1192
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- TB2J/plot.py,sha256=AnFIFWE2vlmj7Z6f_7-dX_O1stJN-qbuiurPj43dUCM,4104
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- TB2J/rotate_atoms.py,sha256=Dwptn-wdDW4zYzjYb95yxTzuZOe9WPuLjh3d3-YcSs0,3277
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+ TB2J/plot.py,sha256=AhZW7ThKYWVZR8L_T2WhvBoqtw1CkrwG1TxgExtvQYI,4079
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+ TB2J/rotate_atoms.py,sha256=taVNQh2OISHx-nuktRNOwDCbz2a_iKTIghCIT_ld250,3250
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  TB2J/rotate_siestaDM.py,sha256=I4ytO8uFP8_GFyBs9-zMdiMSZS3Y3lj2dSLfNBNI2ZY,1078
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  TB2J/sisl_wrapper.py,sha256=A5x1-tt8efUSPeGY5wM5m6-pJYQFXTCzQHVqD6RBa2g,14792
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- TB2J/symmetrize_J.py,sha256=pv65f7TXW371kfnByIkg885XFEGg4UmWlzqY7cOUNAk,4474
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- TB2J/tensor_rotate.py,sha256=4-DfT_Mg5e40fbd74M5W0D5DqmUq-kVOOLDkkkI834A,8083
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+ TB2J/symmetrize_J.py,sha256=woZfqWe-NSDBpS_LZAgSXjd2Bkmy6JbVHE4URLfKjaQ,4476
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+ TB2J/tensor_rotate.py,sha256=ZAC52knugXNJHpvpqSrmrHVdCs04b9v5X2F7rXV2zn4,8059
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  TB2J/thetaphi.py,sha256=Z7N3EOSM7rjHd7b9HxMYLPQO__uR0VwEiV9b471Yudc,399
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  TB2J/utest.py,sha256=z_ahi7tpHQF9WlHNQihcQ7qzfezRJQXQt28eB1X_z64,3897
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  TB2J/utils.py,sha256=DHkc7BK0KUGesfoAv1OxMgIw_iZzcFXh--3ybsFSd_c,12535
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- TB2J/versioninfo.py,sha256=atoCpy6lEcGTCC3xahrxEJjoHgoYVtL41Q_3Ryvp76I,338
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+ TB2J/versioninfo.py,sha256=saxQPcaJfCExOjEj-fPln1CRbVMCFEV57JUQnf_b3zw,414
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  TB2J/downfold/Hdownfolder.py,sha256=EmNy5SCxR-5u64Yprec3PX7H3tvaMj0-jOnsVolDRbs,8152
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  TB2J/external/__init__.py,sha256=yD_ZIMi76H49rj6GAQpiB7UlKa3TgSaMkkLHT6M-8w8,137
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  TB2J/external/p_tqdm.py,sha256=ug1jy3-43r8iW7bC37xzPSIe0EjYKH_GUluGzMiQiDw,5831
@@ -45,7 +46,7 @@ TB2J/interfaces/gpaw_interface.py,sha256=GCDlJ-hRWfChvWwsgBDYSmVqO4sH9HAuGZTV9Gq
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  TB2J/interfaces/lawaf_interface.py,sha256=PieLnmppdafOYsgeHznqOou1g9L1sam5jOm3KaObdqo,4408
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  TB2J/interfaces/manager.py,sha256=PQMLEfMCT5GnDWSl2nI4JOgRPm_fysyR-6Y6l97xWcw,860
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  TB2J/interfaces/siesta_interface.py,sha256=Te9-Au0ZGAt-LfEnG8exUFD4lMj6uZu8RmHjopb0XLU,7595
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- TB2J/interfaces/wannier90_interface.py,sha256=qzRgXUBb7t1Aiegrl_RV51BB8csdtVM0EP0Z4pjmTcs,4467
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+ TB2J/interfaces/wannier90_interface.py,sha256=IlHjo1RPGBcmso14r3DIZHp-nHNlOmm3GcK81CrHFxY,4500
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  TB2J/interfaces/abacus/__init__.py,sha256=leas71oCvM_HxrF4gnO5A_VKcJmDAgsI1BUctLU3OBw,177
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  TB2J/interfaces/abacus/abacus_api.py,sha256=lNV4LNkLcKw7Zux4MQYM9wnh3eFTlcSqbf4Pb7pqhrk,7243
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  TB2J/interfaces/abacus/abacus_wrapper.py,sha256=bQFnvvy-0hruTavH_VspMk1wD32t2UFybEkCgwkwle0,11941
@@ -56,21 +57,22 @@ TB2J/interfaces/abacus/test_density_matrix.py,sha256=bMWWJYtDS57SpPZ-eZXZ9Hr_UK4
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  TB2J/interfaces/abacus/test_read_HRSR.py,sha256=W1oO_yigT50Yb5_u-KB_IfTpM7kArGkBuMSMs0H4CTs,1235
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  TB2J/interfaces/abacus/test_read_stru.py,sha256=hoKPHVco8vwzC7Gao4bOPCdAPhh29x-9DTJJqRr7AYM,788
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  TB2J/io_exchange/__init__.py,sha256=LqEnG67qDVKt4hCUywDEQvUIJ7jsQjmtueOW_J16NOE,54
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- TB2J/io_exchange/io_exchange.py,sha256=KQNCd3G_9Ck-qQX1UMKjfEPHyv5mC3BgRot_ngpACYs,23340
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+ TB2J/io_exchange/io_espins.py,sha256=M5VP2z6QY88RtzP06ebqHoQy5ywchojz8gr9Uw9rATk,10615
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+ TB2J/io_exchange/io_exchange.py,sha256=VUCog9y120d3Zved-lJ-qIb0pazx1IdAs8SHl3B_MfM,24931
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  TB2J/io_exchange/io_tomsasd.py,sha256=NqkAC1Fl-CUnFA21eBzSy_S5F_oeQFJysw4UukQbN8o,4173
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- TB2J/io_exchange/io_txt.py,sha256=BMr1eSILlKpgtjvDx7uw2VMAkEKSvGEPNxpaT_zev0I,10547
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- TB2J/io_exchange/io_uppasd.py,sha256=bI4iPEgnK4TvCZNvb6x2xYXgjW7pEehCqmcizy2pqFU,3301
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- TB2J/io_exchange/io_vampire.py,sha256=vOStLmtCiWLp9GPhZpsAmrtaRHg9KSmtOM2Fky6yCQA,5762
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+ TB2J/io_exchange/io_txt.py,sha256=jFScdZ5W5_VNSEWYq6WDNKWeshZ0wxFfEzyjfvvU9MA,10601
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+ TB2J/io_exchange/io_uppasd.py,sha256=qhGhHbp3cZmwuBo1SrEBQulrPjEWPD3yRgVs-juQ7Fs,3268
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+ TB2J/io_exchange/io_vampire.py,sha256=nheRskvFdjEnWT8BRZ5ckZjC0dosno_PXB9erKPq_T4,5862
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  TB2J/magnon/__init__.py,sha256=Q69duroGIIotgW_71ZdHYarSiJLGAu9NPYgEacUk6eI,117
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  TB2J/magnon/io_exchange2.py,sha256=EcC3x6H13qq61WBsr__xKzHDtSvy_dMz1tEdUaqSG2I,23265
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- TB2J/magnon/magnon3.py,sha256=PFZFiyfYTIBscVu8SzvGxtrXhT-QM66EwIhWOqgSYQE,30219
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+ TB2J/magnon/magnon3.py,sha256=ecMCCAZiBCPyEPdNI60h5rV0nRyjFeB40FIX8-o87kE,31801
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  TB2J/magnon/magnon_band.py,sha256=ZLHK1qf2Clu9jlcvBwBCBEi1MrPfy2BWrow8JJ2v5pk,6103
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  TB2J/magnon/magnon_dos.py,sha256=uztzsxCmFZpDHl-JziaUb_NNwBeZw9-L2ozd3XNTvxI,8506
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  TB2J/magnon/magnon_io.py,sha256=H4bmzCcnh1D3Sb6UBIIKWa6jIrA20dg9lX4wfLXHEjo,1241
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  TB2J/magnon/magnon_math.py,sha256=0mVQY5tXe6fHsfijivXf-1-Tk-Ku02Gv7-TdAd8qUpc,1359
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  TB2J/magnon/plot.py,sha256=oNavax15jRfW4Sxl6FgwLXSrMntyVz2cgVDbmgkWehw,3193
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- TB2J/magnon/plot_magnon_dos_cli.py,sha256=XVozodrIO_w4FBhp-ZcpIZbyGWLdegUFLdvY5zL3XOI,2592
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+ TB2J/magnon/plot_magnon_dos_cli.py,sha256=y3R2DPTuK5Jw9rdnBooWNczQM-s8s_blCP5Wd2zaIWg,6124
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  TB2J/magnon/structure.py,sha256=rKefzXgQlEjVvV-A7E2IogVDWwf5egZr3Wxxu6HuJU4,7685
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  TB2J/mathutils/__init__.py,sha256=E70Mx8mLXh3DJGmdN3TLWmGYMcsbvKxmgxUbAI6Mzmo,49
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@@ -79,10 +81,23 @@ TB2J/mathutils/fibonacci_sphere.py,sha256=1rqf5n3a9aDjSydA4qGkR1eIeLJKuoblA73cch
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  TB2J/mathutils/rotate_spin.py,sha256=sPTnwJThfohCHIY7EuzBV2K3mIXcJI5y1QBytGmEKR4,8229
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+ TB2J/scripts/TB2J_downfold.py,sha256=f1CPuka_uOcvwBKDWAaseRZ04Bqyx_Cor5PvU6LyIsU,2600
85
+ TB2J/scripts/TB2J_eigen.py,sha256=LVFoe1xntAnaljRBbVywBSxq0bSQs0tR7ECf8Zf0CS0,1174
86
+ TB2J/scripts/TB2J_magnon.py,sha256=fz9nOv5dMy1e0Dac3eGtiNODvdfTnfLlM7jvYbShiN0,3116
87
+ TB2J/scripts/TB2J_magnon2.py,sha256=mfDrkjK9DpXeKl6jLdACzAD6ArAWBCmC-TPb-vCWpJs,1934
88
+ TB2J/scripts/TB2J_magnon_dos.py,sha256=xQlI6u31Oyv9Yua73_Qa5cF1cnvg1PNrTy1VXs4dcBk,107
89
+ TB2J/scripts/TB2J_merge.py,sha256=Qzo1cZPxCy_-RwcxB6R1u4vnTt8BA_cIoVIEs8nHwS4,2109
90
+ TB2J/scripts/TB2J_plot_magnon_bands.py,sha256=x5WkiI-pkVHqCTa2e5qNWaeAvyXmchqY8BMeTW13dFs,636
91
+ TB2J/scripts/TB2J_rotate.py,sha256=WneOj6NBMDzVlpLXnq9tZqnJqTATfv_zmgl4EltD118,859
92
+ TB2J/scripts/TB2J_rotateDM.py,sha256=lH71mkg0BKDGVLoK7VvmIPkf2mCjyc0V5l9rZZgyfP4,570
93
+ TB2J/scripts/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
94
+ TB2J/scripts/abacus2J.py,sha256=3DE3EjRIcI0ydBQoH3WTGpYKYMEVL53hnB8PQ4gojdk,1809
95
+ TB2J/scripts/siesta2J.py,sha256=2CrS-wfVr0W2NaGvY9niNslC0xoX0WgDZFlrmIWUr20,2332
96
+ TB2J/scripts/wann2J.py,sha256=djLBG3t4oEimokMG6TIFHyjp8u8DtnizN9coQXOTN7U,3254
82
97
  TB2J/spinham/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
83
98
  TB2J/spinham/base_parser.py,sha256=oQRHvFE_BlUtTaTZykKgvicu40oXcbICB-D1aAt-qlA,2196
84
99
  TB2J/spinham/constants.py,sha256=y4-hRyl5EAR42k24Oa5XhAsUQtKVn1MAgyqNf-p3PrM,762
85
- TB2J/spinham/hamiltonian.py,sha256=OfsjlGIgFwpXaohopZcgPamSfjm3X46_zc245eyTr_A,16607
100
+ TB2J/spinham/hamiltonian.py,sha256=x7ACIdZhblGMStsENk8lpqYGnT2YeIZEN2ikjC1H5Uk,16597
86
101
  TB2J/spinham/hamiltonian_terms.py,sha256=7e84tfEjvAfZltUkrSWi1sUEiW_itLKy83lxi5iBpcQ,9714
87
102
  TB2J/spinham/plot.py,sha256=tLLNqFAATVrP1kmSVLPKzn686i-CUyqu4qgOcs-okHI,6599
88
103
  TB2J/spinham/qsolver.py,sha256=Sr9I3aGfVNYn5wzwPx1QonHe6ZZUXBAujWRa7nTA5u4,4986
@@ -91,10 +106,10 @@ TB2J/spinham/spin_xml.py,sha256=mneeZzkCE5andvIlur_6VK3XzWvoL-PVqSoWKXtDYTM,1103
91
106
  TB2J/spinham/supercell.py,sha256=y17uUC6r3gQb278FhxIW4CABihfLTvKFj6flyXrCPR8,12217
92
107
  TB2J/wannier/__init__.py,sha256=7ojCbM84PYv1X1Tbo4NHI-d3gWmQsZB_xiYqbfxVV1E,80
93
108
  TB2J/wannier/w90_parser.py,sha256=dbd63LuKyv2DVUzqRINGsbDzEsOxsQyE8_Ear_LQIRg,4620
94
- TB2J/wannier/w90_tb_parser.py,sha256=qt8pnuprmPp9iIAYwPkPbmEzk6ZPgMq2xognoQp7vwc,4610
95
- tb2j-0.9.10.1.dist-info/licenses/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
96
- tb2j-0.9.10.1.dist-info/METADATA,sha256=aCAWVmSmHiwD7uwDvnlBQocGJaXPpqJAbBtOoJznASc,4138
97
- tb2j-0.9.10.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
98
- tb2j-0.9.10.1.dist-info/entry_points.txt,sha256=RuFfrRenhXgzZA1ND_4j4D8ylTXl6VbWLyV3fDx6KKw,734
99
- tb2j-0.9.10.1.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
100
- tb2j-0.9.10.1.dist-info/RECORD,,
109
+ TB2J/wannier/w90_tb_parser.py,sha256=XPh0PNgX_fKYQodDOzZj6DKsvgULMQERU8Kjh4U2xZY,4563
110
+ tb2j-0.9.12.17.dist-info/licenses/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
111
+ tb2j-0.9.12.17.dist-info/METADATA,sha256=yqpT7652HQganLOQl05WVHltrVxxc5Ty5BX6PrHdj20,4145
112
+ tb2j-0.9.12.17.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
113
+ tb2j-0.9.12.17.dist-info/entry_points.txt,sha256=QlTwH3gCmaKBW48nr0FwGTd5LTThTiemw_36u7e1B7o,770
114
+ tb2j-0.9.12.17.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
115
+ tb2j-0.9.12.17.dist-info/RECORD,,
tb2j-0.9.12.17.dist-info/entry_points.txt ADDED
@@ -0,0 +1,15 @@
1
+ [console_scripts]
2
+ TB2J_downfold.py = TB2J.scripts.TB2J_downfold:main
3
+ TB2J_eigen.py = TB2J.scripts.TB2J_eigen:write_eigen_info
4
+ TB2J_magnon.py = TB2J.scripts.TB2J_magnon:plot_magnon
5
+ TB2J_magnon_dos.py = TB2J.plot:command_line_plot_magnon_dos
6
+ TB2J_merge.py = TB2J.scripts.TB2J_merge:main
7
+ TB2J_plot_magnon_bands.py = TB2J.magnon.magnon3:plot_magnon_bands_cli
8
+ TB2J_plot_magnon_dos.py = TB2J.magnon.plot_magnon_dos_cli:main
9
+ TB2J_rotate.py = TB2J.scripts.TB2J_rotate:main
10
+ TB2J_rotateDM.py = TB2J.scripts.TB2J_rotateDM:main
11
+ TB2J_symmetrize.py = TB2J.symmetrize_J:symmetrize_J_cli
12
+ abacus2J.py = TB2J.scripts.abacus2J:run_abacus2J
13
+ lawaf2J.py = TB2J.interfaces.lawaf_interface:lawaf2J_cli
14
+ siesta2J.py = TB2J.scripts.siesta2J:run_siesta2J
15
+ wann2J.py = TB2J.scripts.wann2J:run_wann2J
tb2j-0.9.10.1.dist-info/entry_points.txt DELETED
@@ -1,16 +0,0 @@
1
- [console_scripts]
2
- TB2J_downfold.py = scripts.TB2J_downfold:main
3
- TB2J_eigen.py = scripts.TB2J_eigen:main
4
- TB2J_magnon.py = scripts.TB2J_magnon:main
5
- TB2J_magnon2.py = scripts.TB2J_magnon2:main
6
- TB2J_magnon_dos.py = scripts.TB2J_magnon_dos:main
7
- TB2J_merge.py = scripts.TB2J_merge:main
8
- TB2J_plot_magnon_bands.py = scripts.TB2J_plot_magnon_bands:main
9
- TB2J_plot_magnon_dos.py = TB2J.magnon.plot_magnon_dos_cli:main
10
- TB2J_rotate.py = scripts.TB2J_rotate:main
11
- TB2J_rotateDM.py = scripts.TB2J_rotateDM:main
12
- TB2J_symmetrize.py = TB2J.symmetrize_J:symmetrize_J_cli
13
- abacus2J.py = scripts.abacus2J:run_abacus2J
14
- lawaf2J.py = TB2J.interfaces.lawaf_interface:lawaf2J_cli
15
- siesta2J.py = scripts.siesta2J:run_siesta2J
16
- wann2J.py = scripts.wann2J:run_wann2J