aim2dat/__init__.py,sha256=PKg4zg6eRUwwwBo3oILyljP2kYRFOmMyYyqoR9L0Nfk,48
aim2dat/aiida_data/__init__.py,sha256=DMS2CmaE8GChvp7oQAMzFk36-XuqgoT50fzIO2eA_-k,26
aim2dat/aiida_data/gaussian_cube_data.py,sha256=xk9LnZvLFpnT-BMv0b4ckRX6wP-5_76oZ_TM1lCFias,7076
aim2dat/aiida_data/surface_data.py,sha256=e-7Bf3DGM46C9sQbGfnj-q_d_rp6b-ED5YCXRTMM84E,7246
aim2dat/aiida_workflows/__init__.py,sha256=gLutTz9P4Jkl2TS9KZ2-PSYCdNb91Tiw8mtUOEcWZx0,30
aim2dat/aiida_workflows/_workflow_builder_utils.py,sha256=GoMxfrA46yLoaLlSDcEFTPT6PMXX6e3_Qf1M_wWqwTU,1804
aim2dat/aiida_workflows/utils.py,sha256=Nc1XuFeusW1ls2Wjijibptq1GFtZgEeZkgGggZoJpck,11597
aim2dat/aiida_workflows/workflow_builder.py,sha256=8gBBGPC5ZAZKwvbR9JuqRr6wEfiDpyFU8YWNtYpa02M,61383
aim2dat/aiida_workflows/chargemol/__init__.py,sha256=QX2vc8YFdKHHbLcX4VjaDe5Bp_1fWyVKZVwZgVNU_FE,58
aim2dat/aiida_workflows/chargemol/calcjobs.py,sha256=W8-4TBdAVjzM4BOJztc3VnwkNMxLHUcvVneqNCf2Nbg,6712
aim2dat/aiida_workflows/chargemol/parsers.py,sha256=3EfQTWASnqYsRrugk85Jq1HxQh_Q_UnOhp_p394PWdQ,2918
aim2dat/aiida_workflows/cp2k/__init__.py,sha256=H5n5nmsskWyvGBwgCCCnV6uLV1E-vtdK05Ra494k2RM,148
aim2dat/aiida_workflows/cp2k/auxiliary_functions.py,sha256=np8_JThJq8kKzZJug4cJajfepLepn651rB1PMFE6Z4s,12937
aim2dat/aiida_workflows/cp2k/band_structure_work_chain.py,sha256=p2SOSyUmZ9jHBhCogLiIERwCxF9pkGQkLvg-GRQNzIE,5103
aim2dat/aiida_workflows/cp2k/base_core_work_chain.py,sha256=ewr_cHfm7cJoMORaiQo9f8mp3AJbSlpZNI1GQtQm9u8,9923
aim2dat/aiida_workflows/cp2k/base_opt_work_chain.py,sha256=MTvfAQwtyJVt-NSQ3NMuSMe4m3IfJmF98FeGjeDeH3A,6837
aim2dat/aiida_workflows/cp2k/calcjobs.py,sha256=LNyo0fmFW3YCsGWJ4Dm4bIXYy-ddo0lZPem3EnPvspw,13256
aim2dat/aiida_workflows/cp2k/cell_opt_work_chain.py,sha256=BhwlfSEA00oKOSvru21OhBWvimmaKAqmhvR-8yK9cR0,2538
aim2dat/aiida_workflows/cp2k/combined_work_chains.py,sha256=SwU2ddW2wrzk8CEPQLcNtxM9DGoxWyTS0K-mcOzj-go,28338
aim2dat/aiida_workflows/cp2k/core_work_chain_handlers.py,sha256=KRQAiT98HglAMSpe2JN0Xd-16aWWWLNE-h0jbLxhxh4,8037
aim2dat/aiida_workflows/cp2k/core_work_chain_inputs.py,sha256=aF24yrqJ8akm8aFpN_NoZPUzBsIPjZ8Yw-pSMA6jJ20,8762
aim2dat/aiida_workflows/cp2k/core_work_chain_opt.py,sha256=EFSln4Dh48578t8GNRJ3OnTKdqs7vn84IOuDhg2Vv7I,3611
aim2dat/aiida_workflows/cp2k/core_work_chain_scf.py,sha256=XEQ_OE8H8Fzae5ODJi5PrFgJg7HjJD7SHJuX1ITPINA,15422
aim2dat/aiida_workflows/cp2k/cube_work_chain.py,sha256=pD2GqHKQ97hqsMUn3UUigva4B68hVfBLAmIR7dcarmo,2998
aim2dat/aiida_workflows/cp2k/eigenvalues_work_chain.py,sha256=tFJ5E6cwpPxjiWZt49YJbS5mlhh_8smWzXBw7t2NT5g,2626
aim2dat/aiida_workflows/cp2k/el_properties_utils.py,sha256=sLP7VyufI4elh0PygQvyjVr1Y8_fos78h5D6imGCxBU,3528
aim2dat/aiida_workflows/cp2k/find_scf_p_work_chain.py,sha256=FcinDA6vUR9xXBEPiYLZ4CHS_A92cFKJ9u3ngGg6Grg,2461
aim2dat/aiida_workflows/cp2k/geo_opt_work_chain.py,sha256=oLsEpiwwagaVGORtQmSf-iVEhSJmRcDwOsxbZ0sopvs,346
aim2dat/aiida_workflows/cp2k/parsers.py,sha256=EXSE2LE-kP9df8PF3JpeeewNdM9sl194HP1NDWJg62k,10676
aim2dat/aiida_workflows/cp2k/partial_charges_work_chain.py,sha256=kjJJAMM4h59vSsnuPh9T0MQACBkqOEJvs59VW45I058,6106
aim2dat/aiida_workflows/cp2k/pdos_work_chain.py,sha256=SZk32fMieVrL4RH5OnTv8v0Y5RtfRf6sgo-3JyR1LMU,8588
aim2dat/aiida_workflows/cp2k/planar_fields_work_chain.py,sha256=U5JE03_7atAZbUwsmYaxbH5IQRgNAn7qlWa9ZqWnwzY,8503
aim2dat/aiida_workflows/cp2k/surface_opt_utils.py,sha256=OT-FyANCGFtdUGWma6p4i72xb9Vj3JEmp4noHxD9cNU,6738
aim2dat/aiida_workflows/cp2k/work_chain_specs.py,sha256=RaKjBbovEsgBbJxYciLbSbm1O4SCRuUdK_YIGo79af0,4153
aim2dat/aiida_workflows/cp2k/opt_parameter_files/cell_opt_p.yaml,sha256=gBbC4ubhxJCvZ5q1V3zgGyKaIWyJen4y4nyFraGukB8,3844
aim2dat/aiida_workflows/cp2k/opt_parameter_files/geo_opt_p.yaml,sha256=9VTZOrSAlLpQ6bZJn4GsZfUrIOtnAIRw8MxrgnRx2iE,1170
aim2dat/aiida_workflows/cp2k/parameter_files/basis_sets.yaml,sha256=l1gO4uRXzux5Pc6LhJo1hzPqPtyOKwztECyeShmvF50,13730
aim2dat/aiida_workflows/cp2k/parameter_files/xc_functionals_p.yaml,sha256=Xf8moz4m0NSPwYS6FVASlRg0FEoxxCqHPaLNedtmd2Q,1044
aim2dat/aiida_workflows/cp2k/scf_parameter_files/density_mixing_p.yaml,sha256=eM5bMFi2uNJlh9iTsBGqL2um-t3xPHiKmq6Dd7ky_PY,8177
aim2dat/aiida_workflows/cp2k/scf_parameter_files/orbital_transformation_p.yaml,sha256=mVU1dVQGhnbsbhqNJg_IpDFRB0Y7foYxZXCeBopHLrA,309
aim2dat/aiida_workflows/cp2k/scf_parameter_files/super_cell_p.yaml,sha256=hKz__43YLTuIKwRGk3SdHRUijwwuzpymz83etvr4XY8,1071
aim2dat/aiida_workflows/cp2k/scf_parameter_files/surface_mixing_p.yaml,sha256=O7dmKPKeYegd-JBMRcxcGRkQFnNrBQFlrUjUTMHe-ZI,565
aim2dat/aiida_workflows/critic2/__init__.py,sha256=J-ceF9trkRtN-NgoylUvYHP4ROAbrWVqwXGB_cIbhRg,56
aim2dat/aiida_workflows/critic2/calcjobs.py,sha256=AKQ6VnINoj3A64Dl4pr_DwXJFMJvHe99QBiBLGwb8n4,5091
aim2dat/aiida_workflows/critic2/parsers.py,sha256=rE0_hXTnTwBDDwZRqDfuY2uY8iR_Mzb6luWwlaUuCyY,2602
aim2dat/aiida_workflows/enumlib/__init__.py,sha256=UAyAX9DBd56feemucGPZnbU-ge5atDul9ikg1ZGVm_g,56
aim2dat/aiida_workflows/enumlib/enum_calcjob.py,sha256=tezLVzwpTS0eY8OGEQ7eyTz-ffklZStrrEl35YX-h2k,13984
aim2dat/aiida_workflows/enumlib/enum_parsers.py,sha256=2EsiwINlF03sCLHO1zz_9-Dod201QsTA_lT559eDnic,3057
aim2dat/aiida_workflows/enumlib/utils.py,sha256=ZFOncxnxZueoMS7uQyTP9wrT_5IjWTQCHnXV0CE2g2c,1124
aim2dat/aiida_workflows/protocols/arithmetic-testing_v1.0.yaml,sha256=7Q9Zg0nzXtxtF7ygYO82XksV-YGp-Vw_SATj7Nwye2U,1461
aim2dat/aiida_workflows/protocols/arithmetic-testing_v1.1.yaml,sha256=U2k34UrG8hM75EL0a2KkMyAx5k7QhKB5sA3pmFfXC7I,1565
aim2dat/aiida_workflows/protocols/cp2k-crystal-mofs_v1.0.yaml,sha256=SNC7o2qkQxymnUXWm1c4jUIKwQzOleV4UgMY8KGOLb8,10302
aim2dat/aiida_workflows/protocols/cp2k-crystal-mofs_v2.0.yaml,sha256=_27sAVhuLn8ls4N7DT6ZaxIrqeh1wziDucbdHR4CUNA,10295
aim2dat/aiida_workflows/protocols/cp2k-crystal-preopt_v2.0.yaml,sha256=cQhWPM4gtdh77IDfRqWOaJ0uI1Z504vXjQxgq-mBfFg,5242
aim2dat/aiida_workflows/protocols/cp2k-crystal-preopt_v3.0.yaml,sha256=Uf54i_G1jrvQiMo5zkpr83v4wE7oegA1b3SrUDZQAiY,5327
aim2dat/aiida_workflows/protocols/cp2k-crystal-preopt_v3.1.yaml,sha256=dSHBWf1GWf_IVgSTsIKAG1YPGdunGCUq_Xw6CavCO-Q,5266
aim2dat/aiida_workflows/protocols/cp2k-crystal-standard-keep-angles_v1.0.yaml,sha256=b252vfJbTTeQI477nTT6egxvSOdyu4H83MfDsMOmi1I,11023
aim2dat/aiida_workflows/protocols/cp2k-crystal-standard-keep-angles_v1.1.yaml,sha256=XocSe6GlvZotdbDV_uxBc90Ww-J9lqk_pDDw1LoYY1I,11026
aim2dat/aiida_workflows/protocols/cp2k-crystal-standard_v1.0.yaml,sha256=qY8rUVIzYO2Z-hHH6WNV-u9IfadqV4h8EhNhj2cc6rg,9925
aim2dat/aiida_workflows/protocols/cp2k-crystal-standard_v2.0.yaml,sha256=WGLyjIKXNRJkdo9ccltEdhVPvxoSGfWGbionpUCOkSA,11681
aim2dat/aiida_workflows/protocols/cp2k-crystal-standard_v3.0.yaml,sha256=ROVNLp1Y1toMK8aPeB77-D4nM2rjTBMY6G4j7KLmhhY,11851
aim2dat/aiida_workflows/protocols/cp2k-crystal-standard_v3.1.yaml,sha256=xODhkONli86pm1TLpPY88n9jDaTNnvQE6pPL7ZTagFo,12176
aim2dat/aiida_workflows/protocols/cp2k-crystal-standard_v3.2.yaml,sha256=JqcsF2_K1KY0uq7cRi3GVhBbHAn92rsHHBsbB34ACuY,10968
aim2dat/aiida_workflows/protocols/cp2k-crystal-testing_v1.0.yaml,sha256=B2hOgNFRQlIeLYKcIlPerhwWliEg669-En61lK2aHcY,8632
aim2dat/aiida_workflows/protocols/cp2k-crystal-testing_v2.0.yaml,sha256=MMLdq7kcrCydEZZNwHPHa9iePu_qpSA8Kmio4zA_x90,10480
aim2dat/aiida_workflows/protocols/cp2k-surface-standard_v1.0.yaml,sha256=-qtMzpDfpc0VJ77_Z1x9m93SmxViwI8yygk23gwRruc,11615
aim2dat/aiida_workflows/protocols/cp2k-surface-testing_v1.0.yaml,sha256=qlAxSzaw8ldg03fBoRlnKs9pkRfgfWT9hPK0m65YGSM,6899
aim2dat/aiida_workflows/protocols/seekpath-standard_v1.0.yaml,sha256=n0v4IoaryxEoev74YABAeW4D0ShTB6sMitNnux3sf3o,806
aim2dat/ext_interfaces/__init__.py,sha256=LGQrKgTT5YfB0XzVHrAST5xWIotAsn72bFVigiMVzvQ,189
aim2dat/ext_interfaces/aiida.py,sha256=8pVCviYlWZm4lEzV9WbC96ZBzrmXBCYg3E_kyoNpB3U,9857
aim2dat/ext_interfaces/ase_atoms.py,sha256=x5LgvPAooIzG6LkEEgOODIftNLnWFcNfe0xagU_Gbpc,2274
aim2dat/ext_interfaces/ase_surface.py,sha256=fQEvTOzemxjrGZsag1OkUkN4GWvDTG-1HqVu_jq8i7M,413
aim2dat/ext_interfaces/dscribe.py,sha256=XN-vkFia5YKhdgj7ZDRGcir_YnJEJBMp1VeAtW3NmhU,3912
aim2dat/ext_interfaces/graphviz.py,sha256=vxeIDvYNXJamOfVn984q-iLMpPpQaYjuNBjgmeD-ahw,858
aim2dat/ext_interfaces/hdf5.py,sha256=03xdOd5fgsT5YNBIf0PNo1SqIvhm9rD3ILQdXFjYGtA,4495
aim2dat/ext_interfaces/import_opt_dependencies.py,sha256=O7Rvn4RdjRKkuylZ5rjMwXbKdG9L2-U9AmxDls2dxUM,2340
aim2dat/ext_interfaces/mofxdb.py,sha256=36UR6TG3jBTEGmPDQ5NDrTYYA5I64SktvCFrl4Cr87M,4644
aim2dat/ext_interfaces/mp.py,sha256=w9owTFFql-d4xTIfk-W7cHoXSIddlQtzc9mxJHRLors,3000
aim2dat/ext_interfaces/mp_openapi.py,sha256=GhsV5OStPrhIww9O2TAGSiRAGVnt6ynbfMMlC7b9eAQ,11127
aim2dat/ext_interfaces/optimade.py,sha256=CH3SBuu7vrn0IHBrU2GB2sxFMndSXhbRlLTqwad4IZo,6247
aim2dat/ext_interfaces/oqmd.py,sha256=Sz01PmGfMUfYpKi0Ljq2-SdShoQCYQi-jcGwfSOu-cM,3072
aim2dat/ext_interfaces/pandas.py,sha256=iD_eS0OMBoP3kIM4I-ZnyGE56pdsJQKccNpGvlwmA-w,5446
aim2dat/ext_interfaces/phonopy.py,sha256=YVjmD7hyuh3J2gyQ5lnfM_JIwcVJLbqk87BS-ISv388,3013
aim2dat/ext_interfaces/pymatgen.py,sha256=s1a43FjpacY65HeMW5JgUsjL6ptkEBb-yQULtnlTijY,1551
aim2dat/ext_interfaces/pyxtal.py,sha256=LXkfxnIBax61ehUTQvrItx0HKAlM5rgqzmrxMAReluQ,8742
aim2dat/ext_interfaces/seekpath.py,sha256=Mr1oneujjAxGoU8Kon-okqCL3bMIqty_p_3eeAPJm2Q,1112
aim2dat/ext_interfaces/spglib.py,sha256=yaqB8qOCh8fuOl02A7yPWYm9WnKVOCOjD-0UMlQqSPg,10462
aim2dat/fct/__init__.py,sha256=KlF5gM9Tb3yhwQ1VFHwylrbBhO2A5HAKqTUo5nHJxzs,400
aim2dat/fct/discretization.py,sha256=r1kq1Y1fsdjWANw7wks8L6k1mGW5cT0R1vh7IPDg9BU,15715
aim2dat/fct/fingerprint.py,sha256=E27MBDwQ0rBIB2ZKQTtiSWXvMfEOCDTz1DkhKAZzz7o,5588
aim2dat/fct/function_comparison.py,sha256=b8FW4sfBIvHyOZQRlDH5kwehBO__kFmTqWkB19cR56o,7973
aim2dat/fct/hull.py,sha256=zsiO88ZOUEMy0eUSRLHUaqoAmSl7tp-vFSrcm1z0Xe0,3257
aim2dat/fct/smearing.py,sha256=9zTWtnVnFKv9NIsmg43jCnshUxNRobCJbbHDDUWrlgo,3197
aim2dat/io/__init__.py,sha256=OeKXBfwM91-35x-OTCNNoqReH8HHzvPFddW2ByOkxP8,62
aim2dat/io/base_parser.py,sha256=hPG4YtV_9dV6xWY_nqiLPUNmc1udQblVWqyXmGxGQX0,4658
aim2dat/io/cif.py,sha256=aDBB179VZTxHgbzeV1VXNxqvv2ijaTPhsfYH2c_vtM0,17708
aim2dat/io/critic2.py,sha256=oCq7utfNwHUL7P2AlHq8uhpRI35tWqBulK_YALtkOwo,3492
aim2dat/io/fhi_aims.py,sha256=CyOw5gcNKWarl_QkDurCExDAxrPT3tk9hWaXkSXT3JA,5095
aim2dat/io/phonopy.py,sha256=Oiz3tkLTOLzP2aFvod9lFK5-MY79YmPl4j6YKRMxINM,12721
aim2dat/io/qe.py,sha256=F4Hl-OvJbLXG1fwYRqk2kKIjRxrIi01g9vKN6R4Ue50,24000
aim2dat/io/utils.py,sha256=TAUNNSxEvMBZCBoomjAmFbpfk5cGxuVdR4qKbqVFU1M,3691
aim2dat/io/xmgrace.py,sha256=6d8e_M3PB6tld50So7LGrw30QmxkL9V_0LAOqwsK9Pw,6243
aim2dat/io/yaml.py,sha256=Q_lteTU92KJoRtuSgCIiTHdJ5FLtcZRCnrCsqy2IKrY,1011
aim2dat/io/zeo.py,sha256=I4Wn8ToxuVhrdDUHbJgDfbb9gFgwmSfwWBTH9zashA8,1710
aim2dat/io/cp2k/__init__.py,sha256=WvA6s4EIobxiGoWQ8tr3GfN4S37hpyBRrZC8HLiuBos,494
aim2dat/io/cp2k/bands_dos.py,sha256=4O5hepjVo9gptgDErYG1KaPx3vrqdiNvWAt1pZI-_ys,4849
aim2dat/io/cp2k/restart.py,sha256=3rqN384E0EIM1dXjfSWYepubjNPP76fHlItskm1WKBE,4545
aim2dat/io/cp2k/stdout.py,sha256=Igf1vsXETp5maXuGB5sa6xBIrBJAFAJZx4mvKqr3auM,32370
aim2dat/ml/__init__.py,sha256=wfWQq7A1QdSnUUcHUm52BOrMN6xOMHJCbH-GbkriRos,66
aim2dat/ml/cell_grid_search.py,sha256=PuHLAmz4J08R4YmY95GFwkD-ebWDzsD0GQ6FIsFn-_8,14430
aim2dat/ml/kernels.py,sha256=LLhjRakgvuKFv8VupNVZxxtLEYbtkaMmFFBcS302U-4,1032
aim2dat/ml/metrics.py,sha256=b2EeLN-sWF2U1J6RXKPT6CmNjtLWVkNwijuTscQOw_Q,2532
aim2dat/ml/transformers.py,sha256=Qv0ZqroTvJ_PBHkbbM5OGrv7lErSMg7smvE-U_sxNGQ,37444
aim2dat/ml/utils.py,sha256=S38IHXcl6MnVQ0Wu-wP-Eja3WZTZWxAfiWwdtWU07ao,8774
aim2dat/plots/__init__.py,sha256=kOrQ5ZTui_VN0aBE2RMuzxqYVa5dZg-ldaT4oUJpySM,964
aim2dat/plots/band_structure_dos.py,sha256=Jv6b9liCic8nzDSGRNDkbYuSHqozvW5A3SgiYAeTLuM,15973
aim2dat/plots/base_band_structure.py,sha256=wpW_IuvvXXnJ556C-ptE1uHy1I6htLJbtg2CbTEPuhY,33951
aim2dat/plots/base_dos.py,sha256=tuQf1uyk3m2pY8I7-v3KL9X9U3gBIEtYjOY3ijzxWd0,20955
aim2dat/plots/base_mixin.py,sha256=Wa2wXSEdNarsgbiZj6ORa9NhitKXu8XDmXrjuBps2r8,11595
aim2dat/plots/base_plot.py,sha256=p2VkspUaixc2qJBVJqQawMp8gKxe6Gedpl1ovOzta7k,33634
aim2dat/plots/matplotlib_backend.py,sha256=HzahOjGEcmU0JDI93cLqGGxRUtjAGOv-ztd47QAKAYM,12440
aim2dat/plots/partial_charges.py,sha256=SIra2rqJ4aNbKtYUqmbShTIy0O7FEg3fMyQjPte0UiU,9887
aim2dat/plots/partial_rdf.py,sha256=4Y3VWo1gIZFiKjkGhuc-HS9lL_UnJdmrmnXF46GPSM4,3861
aim2dat/plots/phase.py,sha256=W1rwJr6H_kJP82aXRh5uhjA-sDluDMP71CN24MABWEQ,19585
aim2dat/plots/planar_fields.py,sha256=Rnz5VBZovjNYhp115GZGRQD2iSONmuPeNAMvsPVAVOg,10993
aim2dat/plots/plotly_backend.py,sha256=KGCLz-dhGNoSPDXcRT4eROwzT0i6zcjES17hUAbPRx4,10951
aim2dat/plots/simple_plot.py,sha256=VyJ05xmVHSb0YCAMuePcK_C2SxeqiiBp9BYpMLLbWkE,5712
aim2dat/plots/spectroscopy.py,sha256=ARbGFEXpfc2rp7fxAAc1eDguMu2IF8CdjLiCkvkQ_eY,4490
aim2dat/plots/surface.py,sha256=c6J_1So1mSiTBIuFOlluZE0LuitofvTZ4vLHIy0ikhg,25712
aim2dat/plots/thermal_properties.py,sha256=vFKqtXzR0Krsxk0hKqOmiLGiwkOFNqnWbvyEMaWzr3U,9023
aim2dat/plots/matplotlib_style_sheets/custom_settings.mplstyle,sha256=AJS9-L2gDUduDNEcfknNpxvsU6NOMmjgAqtBdgPstkA,2590
aim2dat/strct/__init__.py,sha256=nXXb6WiZx9lUemeHNKo6Kwu1QdKhAw3BzH6NCmMWnV4,597
aim2dat/strct/brillouin_zone_2d.py,sha256=3A6eRXBca6w_vqy7GlZezFXbwKkmlE0yVrvpOVy7qSc,7384
aim2dat/strct/mixin.py,sha256=Q58gV_yXwlyd1KDA9yv8k2oSrRzHM65CnNZ4C-zryX0,35311
aim2dat/strct/stability.py,sha256=FOiLl5U9b0VPigbr2bJHitQO7ypFZG-mPm45p0Qw79c,5879
aim2dat/strct/strct.py,sha256=d6nltE2ksDqEA9PPJQ8ABCBMFFgIySgvDZVyHks8RT4,32405
aim2dat/strct/strct_comparison.py,sha256=mseB9jbzv7vZbYq42tqNjciQe5d1yEUtrZhtlE3rRho,6985
aim2dat/strct/strct_coordination.py,sha256=fYkHmBzjcZ-iokeFweRk3QQ8ZB9QLuXm_99kbEd1gmM,14306
aim2dat/strct/strct_io.py,sha256=3yeEwJpX9zPVcix1VW6fDfGVDoJu4cNJDwXjs2zICy0,2133
aim2dat/strct/strct_manipulation.py,sha256=oJ-qP_LgCdEF4Fqz5YgS5iPoBugufGb9MKI4xWQlyiI,6485
aim2dat/strct/strct_misc.py,sha256=_Zn5_ZsDEu-1TQ0E5M4GgcLEfG8LijGoiQVLnvlN8mE,9378
aim2dat/strct/strct_point_groups.py,sha256=Atmq-UF7FSTJsCSqtBGqis8nB562BQ7QVBj5tHvS-s4,29412
aim2dat/strct/strct_prdf.py,sha256=EtmgvVJVawL06RZ0rgxiqi2gcaGOQdi1eBfEAgBXLHI,8062
aim2dat/strct/strct_space_groups.py,sha256=wun2uDel7JfUEv0iQJM7wexYIuqDbTVEIT4WRhaevDk,297
aim2dat/strct/strct_super_cell.py,sha256=akVSKnmKd8LdrsCahw3NBoQKS0ZZ-IfWsQwmqvfwEHE,4227
aim2dat/strct/strct_validation.py,sha256=C2abQalPxuV79HG6Gp0alGLE1MyvOefTREER3U81-Rw,3754
aim2dat/strct/structure_collection.py,sha256=3Qv0Az-T8uu_wrFYbzYrm_bfD7ODDbSt7yg7fBEUZSk,23846
aim2dat/strct/structure_importer.py,sha256=q5sd-ntWMRVqXtShzO7DltYCeSwkojkyuRsQ0BbeC5Y,26990
aim2dat/strct/structure_operations.py,sha256=E8fb3oMPh4wBZjpW8kM1ApG-DwCm9FifFznatmDrchE,36259
aim2dat/strct/surface.py,sha256=T0N21DKrTv5t3PCdeEPeD9rXIUKOAvV1CUF2EEefa_I,9713
aim2dat/strct/surface_utils.py,sha256=Jt37VhhJRWaqB3RgQp-WPv9SWXLoP4BPRPX8dGo7Ws8,20716
aim2dat/strct/ext_analysis/__init__.py,sha256=swtxaKcCXFhSPgwQTsHvFRx8d-i8ix-9zkm5b2BdeWA,1099
aim2dat/strct/ext_analysis/decorator.py,sha256=90EYdpQEqqlJBVYZPu-k335uP1ga_2plONwL8K_UIDg,1003
aim2dat/strct/ext_analysis/dscribe_descriptors.py,sha256=gHsqPUVv52Mize_ekpbUu7F7eViIycMM_-tg_fYPEds,9353
aim2dat/strct/ext_analysis/ffprint_order_p.py,sha256=hu8GnZAFyzxISiDcbI9xUGRAiqv6fK-K67Ksnc7arvQ,2525
aim2dat/strct/ext_analysis/fragmentation.py,sha256=7vCUq49Jc80Wc2N8FS8zzM7tGpErOZUt5rPTuti_s0E,4529
aim2dat/strct/ext_analysis/graphs.py,sha256=EZio7j_Dbk5OY3wdl2hgX9LSyILgbYPBoSyWyqiFTK0,2669
aim2dat/strct/ext_analysis/planes.py,sha256=XCH83bNTCAVOAsf_KDB63CbJ57KV8Eyzh68aMRkP1k0,7508
aim2dat/strct/ext_analysis/prdf.py,sha256=JpHEc5ZAGrvmBHDg696Ii6kd0nltROl3N39CQxeZ58c,1834
aim2dat/strct/ext_analysis/warren_cowley_order_parameters.py,sha256=pcySteF56uEj2bETZ2zjMOF_Ca0milOQ6wUIjcY-Vp8,3560
aim2dat/strct/ext_manipulation/__init__.py,sha256=Gf5rWc8dwfPmScgvQ97zrnccUrWE_CfWuqNzRv-hk0o,750
aim2dat/strct/ext_manipulation/add_functional_group.py,sha256=jHa5cZ8IwE6qvK7E4WXN7N8euO_f-kdYIkPmRjIwUVs,3746
aim2dat/strct/ext_manipulation/add_structure.py,sha256=bzqbKS2Yg6ssnoiDoItTb9qr1rTZkwCckBYN_b8nEUw,21687
aim2dat/strct/ext_manipulation/decorator.py,sha256=ZPdyEt-SQpRDil50WYLhzbtr4NJXaAWBsdAZcgtGvUI,1323
aim2dat/strct/ext_manipulation/rotate_structure.py,sha256=oqsHqgCnUzs4WKrdjsXtPc8CGpn-hPidujWW8bUj7eg,4240
aim2dat/strct/ext_manipulation/translate_structure.py,sha256=uzF8EwTELBIFwQGHJmj3-tOzyJXR3f1A91qxLUCqwwM,2923
aim2dat/strct/ext_manipulation/utils.py,sha256=q7V0XV_tqEjqX-XbnsBv2A1d1FOZ7IDqiTQaLf1qtV4,6129
aim2dat/strct/ext_manipulation/pred_structures/CH3.yaml,sha256=Q0llhrHeB5srNWhkroYEsTf7HTRGC9V_oPdig5khT0U,252
aim2dat/strct/ext_manipulation/pred_structures/COOH.yaml,sha256=YD2Lkf2kx1oE4ZPGEIHgYAeL1Hz3BiT-LIttyegZArA,212
aim2dat/strct/ext_manipulation/pred_structures/H2.yaml,sha256=NYMmSKBgs4uSyEamvDlXFQqiltT_cEBdO1osD1Fz5AE,83
aim2dat/strct/ext_manipulation/pred_structures/H2O.yaml,sha256=corrBRA3OtFeq1yOACVqqlrkyOh2-hCxtQApGdEhceA,112
aim2dat/strct/ext_manipulation/pred_structures/NH2.yaml,sha256=HpWWjVe9RkVN8vSt5FpOdQODj8W4de-HCNQkHCSCh5c,120
aim2dat/strct/ext_manipulation/pred_structures/NO2.yaml,sha256=noK-tgjtmwRl8HqVHJ85eGKcq9-1AVDDYua5oQrPIjw,160
aim2dat/strct/ext_manipulation/pred_structures/OH.yaml,sha256=K1nS0bTLeDnVHBz34YM4y0LDZeIP0vQPEZGNrW7x2uk,84
aim2dat/utils/__init__.py,sha256=IAd1pXNqmKsyPbalwDm-xqb2XC2Hu_1SuUARD7vtig8,47
aim2dat/utils/chem_formula.py,sha256=-ob9P1i40Kbc7Cb5k9Tlen2B4RpKOo9Mj2dj4I1L24U,8785
aim2dat/utils/dict_tools.py,sha256=ZfcBF1Wk-adGZHEgB1LJkI3W05LD_XGaX4SqAXMIYvc,2465
aim2dat/utils/element_properties.py,sha256=TGZHFH2BFa1u7_i2Xkk_M0VJGISVsbUsKnRol5i0vis,5754
aim2dat/utils/maths.py,sha256=c6KLjMAIXme-BcGW4Y0P_v_EvoZ89wfn7XqSJZuiZrk,6139
aim2dat/utils/print.py,sha256=hRYTsl4iNSullOq-Te_MxCohsNS1lJ3odW8xbbB9Jp0,1669
aim2dat/utils/space_groups.py,sha256=bzzjO6Fqf3kWXT7ExwW1O6Dwf5wbYSleZKb5ES5HrEs,4906
aim2dat/utils/units.py,sha256=LWiNdRqW4OwihGhoTeGrca8Cy8xufTjT6AOGkEgSHtQ,13681
aim2dat/utils/data/__init__.py,sha256=cyUNsTjsp0pcmGRJMOd0OqEcWowP4-4cpPuCUuBIF-Q,6583
aim2dat/utils/data/atomic_radii.py,sha256=a5pqB7CHrjiyj-3_137NUFTYLfeEz8bqWO1A3WACBEg,4090
aim2dat/utils/data/electronegativity.py,sha256=czV6-Ad5pkBKriJfd83c4d3O5czkEqIZSaFLTBj5Mcg,4042
aim2dat-0.3.0.dist-info/LICENSE,sha256=IMF9i4xIpgCADf0U-V1cuf9HBmqWQd3qtI3FSuyW4zE,26526
aim2dat-0.3.0.dist-info/METADATA,sha256=0KmQoVlafvQnrpWsVnUK52st5f-b9ubpTUYcaI_QJdE,6202
aim2dat-0.3.0.dist-info/WHEEL,sha256=beeZ86-EfXScwlR_HKu4SllMC9wUEj_8Z_4FJ3egI2w,91
aim2dat-0.3.0.dist-info/entry_points.txt,sha256=U7bljZfX6UxH-mwVxqgz0Fyx9qTo9mCisU35jF36ih8,2331
aim2dat-0.3.0.dist-info/top_level.txt,sha256=ECT3R9UZleFrYiIA9cKm18VoaIktv-g6uhgGwK1S6mo,8
aim2dat-0.3.0.dist-info/RECORD,,
