TB2J 0.9.0.1__py3-none-any.whl → 0.9.0.2__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.
- TB2J/Jdownfolder.py +110 -24
- TB2J/Jtensor.py +1 -1
- TB2J/MAE.py +188 -0
- TB2J/abacus/MAE.py +320 -0
- TB2J/abacus/abacus_wrapper.py +20 -2
- TB2J/abacus/occupations.py +278 -0
- TB2J/abacus/test_density_matrix.py +38 -0
- TB2J/cut_cell.py +82 -0
- TB2J/green.py +2 -13
- TB2J/io_exchange/io_pickle.py +0 -0
- TB2J/mathutils/__init__.py +1 -0
- TB2J/mathutils/fermi.py +22 -0
- TB2J/mathutils/kR_convert.py +90 -0
- TB2J/mathutils/lowdin.py +12 -0
- TB2J/mathutils/rotate_spin.py +35 -0
- TB2J/patch.py +50 -0
- TB2J/pauli.py +17 -0
- TB2J/spinham/h_matrix.py +68 -0
- TB2J/spinham/obtain_J.py +79 -0
- TB2J/supercell.py +532 -0
- TB2J/utils.py +82 -1
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/TB2J_downfold.py +8 -0
- {TB2J-0.9.0.1.dist-info → TB2J-0.9.0.2.dist-info}/METADATA +1 -1
- {TB2J-0.9.0.1.dist-info → TB2J-0.9.0.2.dist-info}/RECORD +36 -21
- {TB2J-0.9.0.1.dist-info → TB2J-0.9.0.2.dist-info}/WHEEL +1 -1
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/TB2J_eigen.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/TB2J_magnon.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/TB2J_magnon_dos.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/TB2J_merge.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/TB2J_rotate.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/TB2J_rotateDM.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/abacus2J.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/siesta2J.py +0 -0
- {TB2J-0.9.0.1.data → TB2J-0.9.0.2.data}/scripts/wann2J.py +0 -0
- {TB2J-0.9.0.1.dist-info → TB2J-0.9.0.2.dist-info}/LICENSE +0 -0
- {TB2J-0.9.0.1.dist-info → TB2J-0.9.0.2.dist-info}/top_level.txt +0 -0
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TB2J/Jdownfolder.py,sha256=
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TB2J/Jtensor.py,sha256=
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TB2J/Jdownfolder.py,sha256=Rmg6KfQ-Lkhei5daTJ2POzr0XL-R1WM-rzUnDcfoDhc,9595
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TB2J/Jtensor.py,sha256=t6OsqrSlYW6Im4H7ykVAW8Al_pFXN4C5yj2UEsV6r7g,3181
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TB2J/MAE.py,sha256=-KWqxjKJvPFuxsMjm0c3nESyUFDeFTqsV7QzPJN-Fxo,7579
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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=hcEWkag_UvLm1ZSbjsgcTWkGVlR3Bwmzg1QYAwsvf-g,24
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TB2J/basis.py,sha256=DFo6_QUwjBwisP6zGxvoO0lpGTMDPAOkiL9giNCjOjA,1558
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TB2J/citation.py,sha256=gcQeyJZaT1Qrtsl8Y3s4neOH3-vvgmIcCvXeV2o3vj0,2891
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TB2J/contour.py,sha256=aw8LX6wVFCRPhcpkzuI0jGnHisvk4cezvUhkF_6Yx94,2633
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TB2J/cut_cell.py,sha256=kr9WeQhBQLm8QXL2B3NcsSYmSw-OAtJk3f9wksAOZbs,2952
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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=dsXQhlxXaBurxa7z3YkBjqmEFFtfEy1xaHf0VT3eKZE,29581
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@@ -13,7 +15,7 @@ TB2J/exchangeCL2.py,sha256=TIr-d2X56AiGe4qEhyXyZhRuwXvQG6clJMwDmjnTOaE,10985
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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=
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TB2J/green.py,sha256=QAJbDaR91QLres5gUPk37iqVsuQdPTt92VtEYLCl240,13170
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TB2J/greentest.py,sha256=2ISSfhor9ecSEOi_E6b4Cv26wEIQlwlzca0ru8z44_E,1603
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TB2J/io_merge.py,sha256=t85k3L6IL9X5ys-PWK7CzResb3xJsyqM3LAlKPUe9vM,6825
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TB2J/kpoints.py,sha256=6XK2KqTncidEq3o9GuO6VEZRPNTRtWeXg9QfcV-9smI,532
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@@ -21,22 +23,27 @@ TB2J/manager.py,sha256=4-4x9jJRHpUEqJuhc5HqpXfh2-Ze5G9Wg8gOtn-AqR4,15372
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TB2J/mathutils.py,sha256=tHA6q3KPDpXLIbZHdDZ2NU5s886VVM_oEG490zQ6Ris,300
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TB2J/myTB.py,sha256=ok_B4my29bOIghMSZfx0Es6G8FaXaIiLP4gPxTdSj00,17659
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TB2J/orbmap.py,sha256=RCMJkOPGbfPrcZzcc5ia1ZMKBQWxGcyj8W1ve8BJaEw,6669
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TB2J/
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TB2J/patch.py,sha256=Z3KZklID9U8zKuk6Ek1Tq95JcY3eT4770dsdcXz6mAA,1067
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TB2J/pauli.py,sha256=zOELm7Vgxw6SMaO5l7qVWx1pBKZt25RLnEpnVM3dz_0,4545
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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/rotate_siestaDM.py,sha256=eR97rspdrRaK9YTwQwUKfobI0S9UnEcbEZ2f5IgR7Tk,1070
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TB2J/sisl_wrapper.py,sha256=A5x1-tt8efUSPeGY5wM5m6-pJYQFXTCzQHVqD6RBa2g,14792
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TB2J/supercell.py,sha256=4hgLGPBLRUDhtD-eF29v46ex7fHdkH-OENjS2wGLFww,19588
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TB2J/tensor_rotate.py,sha256=4-DfT_Mg5e40fbd74M5W0D5DqmUq-kVOOLDkkkI834A,8083
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TB2J/utest.py,sha256=z_ahi7tpHQF9WlHNQihcQ7qzfezRJQXQt28eB1X_z64,3897
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TB2J/utils.py,sha256=
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TB2J/utils.py,sha256=DHkc7BK0KUGesfoAv1OxMgIw_iZzcFXh--3ybsFSd_c,12535
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TB2J/versioninfo.py,sha256=wZwS9QDFRVDe7rf8JyPDDI8UGdTQiO6Pb_sWv8GAegA,337
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TB2J/abacus/MAE.py,sha256=q9aSVDRZFAnZL3gHdNmde7sxj80oe-BRjwDO-ipyfew,12237
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TB2J/abacus/__init__.py,sha256=5sHiDnF2L-Y80QeET9zOiS83a5T_TQAXvnIhcYB6wNU,56
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TB2J/abacus/abacus_api.py,sha256=D_NyXW-Pno92d3RVHByx0l1HDPHQAvXsmQVt8cfIGR8,7267
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TB2J/abacus/abacus_wrapper.py,sha256=PaO7qEE-h1tv2nKsV8h2RZUrmAWjkw8MKapj8Fk9U5s,9006
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TB2J/abacus/gen_exchange_abacus.py,sha256=lKZqkWMnLQtaSwgn8O5Fzr-pV6tzwoMqfZU_vbET6gU,2973
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TB2J/abacus/occupations.py,sha256=vaMVeZwldgzGDxjA7i3-2-V6akXjpgJwJFWKozJ-l2k,8947
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TB2J/abacus/orbital_api.py,sha256=l48Hn5z7TA0TH7Is4NDmz74b6B9L2ztYO4dRR37U4mQ,1562
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TB2J/abacus/stru_api.py,sha256=aBKKlZ2hvAZChVCfNxRdxH51rfHKqZn6kOlazY-yW8k,67888
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TB2J/abacus/test_density_matrix.py,sha256=f0xHOTzIssT-XTvBJrQHU0JVbvBYOE1Mduh-j7qiLO8,774
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TB2J/abacus/test_read_HRSR.py,sha256=cAT-e79jGjCBXLTJ9UYX0WvalG_yD4Awl79tTOUcwaQ,1254
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TB2J/abacus/test_read_stru.py,sha256=CpK4zWhlCVAMCmYQmp9Hy-A40OblZQLFpo5JokpNcWQ,785
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TB2J/external/__init__.py,sha256=yD_ZIMi76H49rj6GAQpiB7UlKa3TgSaMkkLHT6M-8w8,137
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TB2J/io_exchange/io_exchange.py,sha256=RxCZ7OOxhiIzGrIidCOqxNbgLsrHUfCqDVinMvrPdmI,19354
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TB2J/io_exchange/io_pickle.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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TB2J/io_exchange/io_tomsasd.py,sha256=NqkAC1Fl-CUnFA21eBzSy_S5F_oeQFJysw4UukQbN8o,4173
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TB2J/mathutils/__init__.py,sha256=tQLBfHkZqdVfVxPOahy42qMUkFYnFFFhM-uc4QsYFxI,27
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TB2J/mathutils/fermi.py,sha256=tzEicVoxE_5DxPDDZMvi4ynR1_Iqf-Qh0-0zfm-iVBo,480
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TB2J/mathutils/kR_convert.py,sha256=p_9XWJVNanTzTK2rI6KRjTkbSq42la6N448-zJOsMwY,2671
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TB2J/mathutils/rotate_spin.py,sha256=XtfwHGfIqI9nRYZcCd_yQ3Ud1AXVJj9fwqIHloMcaCs,1111
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TB2J/spinham/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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TB2J/spinham/base_parser.py,sha256=oQRHvFE_BlUtTaTZykKgvicu40oXcbICB-D1aAt-qlA,2196
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TB2J/spinham/constants.py,sha256=y4-hRyl5EAR42k24Oa5XhAsUQtKVn1MAgyqNf-p3PrM,762
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TB2J/spinham/h_matrix.py,sha256=MfHIz6RViKkEB3Mu-WcwNx5uk7A5sjAlbqVG9wYA4xk,2784
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TB2J/spinham/hamiltonian.py,sha256=OfsjlGIgFwpXaohopZcgPamSfjm3X46_zc245eyTr_A,16607
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TB2J/spinham/hamiltonian_terms.py,sha256=7e84tfEjvAfZltUkrSWi1sUEiW_itLKy83lxi5iBpcQ,9714
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TB2J/spinham/obtain_J.py,sha256=sg8tiCRRLEN57Olb3MHIuqkDhAkmu-w87AkM00ylXtA,2401
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TB2J/spinham/qsolver.py,sha256=Sr9I3aGfVNYn5wzwPx1QonHe6ZZUXBAujWRa7nTA5u4,4986
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TB2J-0.9.0.2.dist-info/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
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TB2J-0.9.0.2.dist-info/METADATA,sha256=WhFy-Jej3lhp1tyTWrIr_J4hbutGY_DD1S5zJk1YqYk,1420
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TB2J-0.9.0.2.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
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