cadmia/__init__.py,sha256=w9wMS7eziVuFfG08mMwn_4-aP2aesZKge2FZcQGGblI,103
cadmia/citation.py,sha256=8cj8OCbyDEaPTssq1SgYmYi6gGb0BgOcAFBEQsT7h-s,3444
cadmia/cli.py,sha256=nHP7bzGdln87X0vJ75nauqUTRCLtHJ6c7Ebwl9tItKk,156247
cadmia/cli_help_es.py,sha256=2JusfTrJUGDNDJa2VdqQLdKr3EwdGsO993y5zRAYaW0,78641
cadmia/config.py,sha256=LUgPyAJOCTnwynlrmejOFaB3XbqG7R3jCPvijpLrDGU,4299
cadmia/display.py,sha256=q6bIj2EtTs1Gj3-8gbjyEdw58iRAUgxa0f6XNLE2dYQ,31723
cadmia/project.py,sha256=ZErNG9-rkQZ-CUl4TG54fiIppq5w0xNfsuP18uDPadU,2413
cadmia/usage_guide.en.txt,sha256=u7-pKd3e3scM4Tww5GGxD__FaOxjJ1L9k_N9GQkDW00,126143
cadmia/usage_guide.txt,sha256=F5YUkbBDDkOAe1yxXlUVN18Il-xyq95NaShs7ajrF-c,135479
cadmia/agents/__init__.py,sha256=T8iS8X7iQuS5FwodSu5lL56znIyvmTxD_w4Id0iT2BI,33
cadmia/agents/analysis_agent.py,sha256=A8cUlFw0Krxa5CjD2S02GdNCoF0W8HOvvFlUA5dFzVI,32696
cadmia/agents/bde_agent.py,sha256=UZQBfrdA86giltUT-vyVAL-0WEV49diOtQqzUI_lGjM,4357
cadmia/agents/benchmark_agent.py,sha256=EYse_KuBRJ_KmSVomjBG1NJ0wPbNI0Z2u_bYRINbH_k,20095
cadmia/agents/calculation_agent.py,sha256=h6N7BdjQvHkOq_YFnrQlaPZMTBsARNXcAudcev6L67I,29891
cadmia/agents/cdft_agent.py,sha256=kRJeWVfg-bHw_jzzND4QLUA3S4Uj0htYSaBxGRIPopA,10818
cadmia/agents/correlate_agent.py,sha256=_gD8Y-A4UHliMCPnQ3KFBfKyEXUryNmjSNmqKoLyWy0,15015
cadmia/agents/density_agent.py,sha256=qu3-HJDMv-JVmX7Ti2SGWh5oTmUQ_7buIkKGZInGiJU,6359
cadmia/agents/diagnosis_agent.py,sha256=5WqPpAIMvhzN8-Pygb-3u3Nd4Tx2zNWZp4ptXaTqMHE,13876
cadmia/agents/geometry_agent.py,sha256=_vQPfH6Ai1B-mRUTlMqEFqcnQPtuxe7p6NPD0Q1jzmo,37564
cadmia/agents/import_agent.py,sha256=cyVN-UQ6ivhIuHWmizJSDA7URu1A35Q0AWhv0FfsPNU,5667
cadmia/agents/literature_agent.py,sha256=Uzrap_8xF6VBbP_c68ZRpT-pd4lgN4GY48Volqt1KDs,17435
cadmia/agents/orchestrator.py,sha256=6Sh6Gf1EDdPYniQx8bFFFsJqwRCDqHWMYrk9z0sE0c8,18161
cadmia/agents/prescreen_agent.py,sha256=dnI_IesIyhBKAEjTlDFjdYZ0wSG0LJwnRePwL9qMeAU,27529
cadmia/agents/rank_agent.py,sha256=wTfmx_SmYN33MNzlJvaIwwhr1F-ptCasbxF6lz87KiM,15904
cadmia/agents/report_agent.py,sha256=tZjmKA_n5uriZylbeOXGq4r0iGcn1FLJ2y6VtsLZ5Fw,37065
cadmia/agents/stability_agent.py,sha256=WHrh6tumxdtjrwcKq1o8vFj8v8od2OmQWKBekJuT-WI,31784
cadmia/agents/validation_agent.py,sha256=j2ktcR8epOqKPqYA_x2gk63f5-84Tbrwzvg6UiMctxY,17233
cadmia/calculators/__init__.py,sha256=_abCKLyAI7KQ0XWmr05TUQtN8PGket2fgxRo3JzoCPc,143
cadmia/calculators/gaussian.py,sha256=vUT3y9hCtGSuB3cbUcYWVyRhb0MlVwaIn_bh5_HbIeI,4775
cadmia/calculators/hpc_runner.py,sha256=R__P2ZaDYcZfWEvTCsQ-JUqV0BYY-lAWdwETWIXVB8E,10136
cadmia/calculators/local_runner.py,sha256=0m49oEIbdj5I4LwNWmz7CqE2rNa6vWbU4197WcF1qpg,4477
cadmia/calculators/local_slurm_runner.py,sha256=7A_8P5vrPJhXXC7rs0DMVKwhAuIFQl3yNm2xvxAU88M,7521
cadmia/calculators/orca.py,sha256=epai9K9DLSRVtzb_rktcwPPkTXY_T7y5Ioh3E_NIumg,3120
cadmia/calculators/orca_2mkl_runner.py,sha256=gYlPS830lOlqCbjFKyx-p3pXl0b68mMtcTmMaDhleaM,4576
cadmia/calculators/orca_plot_runner.py,sha256=gWim9gFyQEzqxJzxp4RKEofFsJEOKU62pJH6JDxZFFM,11680
cadmia/calculators/params.py,sha256=nF7dIm91i1G9R80ndJ07ft3bo2d6i--1zQAMaCt8Osg,4805
cadmia/calculators/presets.py,sha256=QciMT9IWgacs6rOj05XxC8tQrLG7VRc-EjlojIOzOEg,5632
cadmia/calculators/slurm.py,sha256=GS36FvZrknicZHucdNa6u5whViJ3VS5aYGvWRezt0D8,4094
cadmia/calculators/stages.py,sha256=6kK32VMioEOMs_W-1HS1cZVLD2WhaPs7JbtpcHbnmoA,5346
cadmia/calculators/tidy.py,sha256=oOqzhYdS7sknxucjgeDdA1805JYlj-jkd0C8bWBScX4,3210
cadmia/calculators/xtb_runner.py,sha256=-HQsfpbw4J0OIpstP4l61mCkVlfKvxOM9ibpazpkIS4,6539
cadmia/cdft/__init__.py,sha256=cLgMP804ahYW5kSvqAc6Qd07OGi_qWcD5-lidLITzc4,745
cadmia/cdft/acid_base.py,sha256=5Ds1LO1rrxcakqNsjFf7EUaanKAOr3Z-hG8awYtdhzY,6432
cadmia/cdft/calculator.py,sha256=wrCzHoBEphKA32z21b6aXt4gdovx3yW9CiqAK8UM2D4,13377
cadmia/cdft/compare.py,sha256=7pWa9p9ioCbSdQfvnJJh_Iu-XwYmrT-w2Q-Mv4E7pVo,4377
cadmia/cdft/multiwfn.py,sha256=RNJutIgx5XacgRrIwbPRA8Jc_lrPl8nk4IsqPUQjG6o,6244
cadmia/cdft/nuclear.py,sha256=SwGrGLzt7OD17v_oCsIHSJSYJonvKs_mfBKR0o2joKs,6625
cadmia/cdft/report.py,sha256=mzyzA--N8FkDbAno-DIjipC8985iNHeOeEDWda5_dhU,25057
cadmia/cdft/workflow.py,sha256=sud5QQzDpRbMjbv2TvAnZ_zbjQvg3WrVUKGH8NGev6Q,16848
cadmia/core/__init__.py,sha256=4QfrKUHKrNF27A8cl2SCamOIrX1LX_dVv378-3T8nS8,964
cadmia/core/adapters.py,sha256=ubwUoQkhcjlACYidvMbMxK_FFh9OenZLf7xv_K3TpGs,4449
cadmia/core/adsorption.py,sha256=HHWgR1A_HnEQqtY5X6D-bXdnb-yKAlbEvFno-iw6ElM,1851
cadmia/core/atom.py,sha256=4NqUI0RIY606cP3CCLNoYTVctL8xoOK9LpR_MctoEPY,1303
cadmia/core/bond.py,sha256=tFRRIdG4F8_q_bd3utbNv89MleIs3Jo46mKSAYZKMvw,775
cadmia/core/calculation.py,sha256=0ZWMRNCrEJsMl979yI5Ejcims43VQ2OFcLRDLyLAjuE,2066
cadmia/core/cell.py,sha256=sm5hZdOZpWkU6szwOR8dl7wpAfF94CXbXQez7TP7-0U,1844
cadmia/core/charge_transfer.py,sha256=z4ish0TKhADsUhfQJeds8bdkipG5j-am5otDOUBGDN8,3036
cadmia/core/descriptor.py,sha256=2St93M63HR38S-uN-NhG40U1f7jPYT1Abt01sGLKpig,3588
cadmia/core/electronic_descriptors.py,sha256=PZXUJK0xZVU8-EoobVfGwSStS_MJZbrnE3WGSdOFmQI,2983
cadmia/core/electronic_state.py,sha256=heSb8iGfNspm9erOMb6HbJUlC3MdrSVmF_D9m0c63hg,3861
cadmia/core/elements.py,sha256=HW5tH1VSACU7gK_9UOb2xmp1hLTU76-qxzZyrlcq-gM,2005
cadmia/core/grid.py,sha256=H4-zaNtCjHXRHOPEEHz18cfwBqXxRzI-Jmw6BE95Dsg,3011
cadmia/core/provenance.py,sha256=AvP3eHBDlLzBgzL3bmAjqeL5clvFUadaimWfno3Wa2U,5637
cadmia/core/sidecar.py,sha256=GyreK5shgJ0qXRDJhH8slMfnuaHsE0RqbUy6f8-Re_8,11241
cadmia/core/spin.py,sha256=doTbbPJqdFKs_NArhhjkuNJfdgqXONN4uEykuRL1wLM,2324
cadmia/core/stats.py,sha256=b_fqeiJP-Gt9dBv6Y--mTrzU1dy2bVajnRq8scqv--M,4095
cadmia/core/structure.py,sha256=gp4Zt8hjO_ACsKrADupZBjr6dO1n2fsFPkyWEAKvom8,5523
cadmia/core/units.py,sha256=Brcp9q3gKJ6wrDmM9Q4YkTQLmuAoRcgocOrx_EkBsSk,248
cadmia/db/__init__.py,sha256=5xR-gE2h-lvlY6KMTjiKHvyHDzbINu5fupSFyDLg9iw,42
cadmia/db/repository.py,sha256=f40Jse9I762EE8JuD_x_Ap5uTPpY8YUJjReD97su3KM,40618
cadmia/db/session.py,sha256=oo-XqSw_xcwPay7fZcCuDuu8gyD34mQRyDPZdt14Rtk,14699
cadmia/electronic/__init__.py,sha256=CXSYEPJsbuu96O3Vf0nKXy6H-AyasuATWeqQFCYcLE8,91
cadmia/electronic/cli.py,sha256=ALcuwoUvdlTnRcrVB_M15M2ZO3HQg9a4-2OqKgaV1Lg,12661
cadmia/electronic/cube_plot.py,sha256=rQLk8q6mhYs2_ACKeQg53RfZ_fPlsWSL8ZwTtDcQKWg,8632
cadmia/electronic/density_maps.py,sha256=2FqEbafgkfabqiYOaORTEEr_kijL7wvLMQiQu1uU9AQ,2368
cadmia/electronic/dos.py,sha256=AWqVYSXoslai4XMaYCfvkZxqZ24p_5WXs4ZC7XseUlQ,12459
cadmia/electronic/ir_spectrum.py,sha256=TgjAFe5kDegr0Yv2Ou3ugRa2GfvIbHZtR1zVIHE0Mbg,5459
cadmia/electronic/mep.py,sha256=GxVvAfjGrEilph2OIvcFl4e7MGQ3Ey7cfjSXavyfWTo,10299
cadmia/electronic/plot.py,sha256=rJGP_CdYUk_F1TefeXVCpe9XDX-iK8oITdr2_uA3iY4,7198
cadmia/electronic/thermo.py,sha256=aPY9khijolFQhwbzaYONVWvHmtOcLFBSRyOIp_H6_CM,3065
cadmia/electronic/vmd_export.py,sha256=zqngmOGqvq_ohTmdSqAOkz6rJBPlxqOWPsoWxt9nQLc,6227
cadmia/io/__init__.py,sha256=mOFl4vUC6fCSFnkuFs05pKcya4eAPvatanLK_Bb9pkg,1909
cadmia/io/cube.py,sha256=ivGRVtNfICM-9unGnCCUH5ivWmYnfMvkEX0PC0nj95E,6993
cadmia/io/electronic.py,sha256=2fk-F0EnRJvtKwpiH1V5KZbI28kCc4x3btVDDNEyH3w,40244
cadmia/io/engrad.py,sha256=_J2OMEvJRHZpPXW9vhy5HJX4Mz7Loq7FLQMCrujEHFs,4071
cadmia/io/gaussian.py,sha256=Drvq2IEbUdKiCDagzMJ5vmTfoyfKQOreol0VxvqtECk,3260
cadmia/io/mayer.py,sha256=dZZaO5Qy-SEjxh9v0i26QwygnAa3-sc9PJ003BReIbQ,4273
cadmia/io/orca.py,sha256=GY0WTdnbBeFHNMGDOSqkqDpsrcFcwVoaHmTeSQUEnsE,3687
cadmia/io/vibrational.py,sha256=TATqkz89rxWzcENL26i6w4rjqU0Ipf6Jk_U41y3x450,6904
cadmia/io/wfn.py,sha256=KMwO6EjW8v7lUbfKX_Z1IFeVDOt7Cv8fk9Ps1PDFznc,4428
cadmia/io/xyz.py,sha256=-EFfSj6uYaBsLIYREC5lhp4U-J0-a6IaNu3sk7maJIM,5059
cadmia/llm/__init__.py,sha256=EZgTfFzASa3BWGRm4uER4UQJeYwGM-9T0jQdXTS72X8,880
cadmia/llm/_http.py,sha256=ePsetuxBG5U212tH-LzeSziKx7OgAHC5uiaBDcgCioU,1416
cadmia/llm/anthropic.py,sha256=5dXT8n2fRodBVTOH8SSDm8SbkFOiUgeJtFWIzML7fps,2465
cadmia/llm/config.py,sha256=QH7-Lwp51Iuh9pUypL-phnRL-sHnPuCuOYW1LYywtFA,2721
cadmia/llm/diagnostician.py,sha256=ei87DDeIi7wuuosmD4vr3ltfLOgKN6znhWsqlWuDjhI,3800
cadmia/llm/gemini.py,sha256=-AXPjz31xDMlmzi2UYHny17bwCyWszkQqSXDUphWkww,2266
cadmia/llm/narrator.py,sha256=WZ7tc1azl9TqzB-Boj3ORsOWzcCoUxTMwddgP9NktUc,3920
cadmia/llm/openai_compat.py,sha256=2_ZNjSXMfeg_NbRborXXWp0AP122K5FUV1hOjh8xrmo,2880
cadmia/llm/provider.py,sha256=g9mnOk3O7gnDXLBoLM9-3xkdHZ0dN2GHpOAk473mQn4,1038
cadmia/llm/registry.py,sha256=NGdc4uLN3HHYG9rtzhCwmtutpZcmzCEkVXZ_TrRV37g,1368
cadmia/llm/sql.py,sha256=Qu8Ennk7AoLrRaZEIWwsN009LGQadzZC7Mqh02x8N2E,8724
cadmia/structure/__init__.py,sha256=GOz2xjq99MLREYcQedUZAxpTb4CQ9gqOqZrypi3nhcA,134
cadmia/structure/cli/__init__.py,sha256=2lJO2icbXwE6gK9aKU4fL1O9MBT1_jPwQaOyspX2sKY,25381
cadmia/structure/core/__init__.py,sha256=bCzX1H4WcIcT2bsjlMmOgev1ZXUcbtPsNY8qgEI9YAA,81
cadmia/structure/core/atomic_data.yaml,sha256=-hyOLFKPH7EuB-3ocIZv35az2fyaK_b220JhponK2RI,3211
cadmia/structure/core/config.py,sha256=BoQ79aBJa_88H08R8sBJej16n3Z85hGfx7Dkp3kjeR4,7645
cadmia/structure/rendering/__init__.py,sha256=BR3OET0nAtEef_rP5ypW_G-NiKgkbw0xw83MARWXLTU,50
cadmia/structure/rendering/geometry.py,sha256=QToWWq03UC-k_KPwFT8VbLF7CS4En-aaWOKYigp5Iyo,4059
cadmia/structure/rendering/orientation.py,sha256=KwPoL4PkhoYwo5qldib-Z_yzMcN6eqjj1r_VxfgIxNc,4545
cadmia/structure/rendering/povray.py,sha256=YiS0kX3xg1-XV9Ziw4jTYOn-FzVyGo7U6KQE8xJ90MY,7029
cadmia/structure/reports/__init__.py,sha256=Mf_W5UYzsfBeAIokA1YgY9JdTQXRMOmGT5oVD4pQac4,339
cadmia/structure/reports/generator.py,sha256=kWPmRpKQpQvTDpRrOTUy2wiuuK-iW5Zap_uA3Z47B6c,45125
cadmia/structure/structural/__init__.py,sha256=wmFeerFJ3U0PuJTa2-uYkfh5zI6h1jmwF6lMRRm6zDY,33
cadmia/structure/structural/analyzer.py,sha256=nFkSw1HLXDuejX_Rn_IW8c3DzB37_sWHzt61cVX4mP8,17888
cadmia/structure/structural/angles.py,sha256=fn0W1YiZfLxt06YE3G3GKs4I6Bjq8f4mk9SQWdZx_mI,7491
cadmia/structure/structural/morphology.py,sha256=VGaGQbku9yc_mm2hKahx60I5Ow--RJrXl0lwRZV9iRg,20063
cadmia/structure/structural/polyhedra.py,sha256=nQ6jtRM1ME5UygD4EvwDf7L1jgYUokzWObB-Lsb8kJg,26363
cadmia/structure/structural/shape.py,sha256=giD9esQf6NSvG_v7QS9THjzmeEPIyqkun8x9T3vNBnY,9914
cadmia/structure/structural/summary.py,sha256=eiDXcXU3ZFgAfWcm1DM771rgSISk0mMcJMcqKksTUMQ,2680
cadmia/structure/structural/symmetry.py,sha256=QmYmjDyy-QwdBYCpjxmpKvzWhP27noMQ7L3Lx_fLx9g,5585
cadmia/structure/visualization/__init__.py,sha256=mah_sCo1bnx2YIq2V-oeb-RC3b0PwQbv6gp_-33jOdA,487
cadmia/structure/visualization/molecular.py,sha256=QAwAz_G_9mTQ-YCHPpI6sFDhihHsbG1tQGH7bIoUGto,3539
cadmia/structure/visualization/plot_generator.py,sha256=AEvOKIf-yoONbs4Xb6mHCl8JqWsR0uuyYpsNg8MUUjo,15388
cadmia/structure/visualization/plots.py,sha256=Cf1YHXAMB9E8W44ZBjdUxkiyvLPHlNq6BfB8jMlJhiw,3553
cadmia/structure/visualization/viewer.py,sha256=5TvWoP2vjWszlkMs2ZyX75T9p5cfAI8inqZIfqhuvf4,5889
cadmia/structure/volumetric/__init__.py,sha256=5_BF1wojjU5svbR0kshjslgq5Sn2-P2joPEQeN29PJo,34
cadmia/structure/volumetric/cube_io.py,sha256=k4lpXUc2D0z70H2J2B-OrDnWNpzXzShvl9g4LaFR0p8,2806
cadmia/utils/__init__.py,sha256=fBgLMRGOt8wa66RNqJccNhRC2pdVdGlaMneUEzbrq7M,35
cadmia/utils/chemistry.py,sha256=6PBDhTuyVpcmU7qFCZ9SbxIEgY__WWmOSkzJn21KhOk,6423
cadmia/utils/geometry.py,sha256=w7xA5niL4KLUxOcU8YPKtdGhUbGSpXxWkKJ1SeedVLU,8721
cadmia-0.3.0.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
cadmia-0.3.0.dist-info/METADATA,sha256=cozUWdiV0WhzEBrL54D374LiLpWLa75sJVlBa0OBxjo,49268
cadmia-0.3.0.dist-info/WHEEL,sha256=mOdXR9C3wMVov7cSY8PY-XCzo3SmmWCHvGQr5csJoao,91
cadmia-0.3.0.dist-info/entry_points.txt,sha256=M4PV1hCmzmTx-StXAaA-YfQM2Xgr0qGGd1qXwS3c3cg,43
cadmia-0.3.0.dist-info/top_level.txt,sha256=Pby8hcr0NHYD5e21QRVUPFNvT0AlWIYLd1N7KguukDQ,7
cadmia-0.3.0.dist-info/RECORD,,
