openwfn/__init__.py,sha256=hYJM91vFCUa8CLuhXUkHCS5HJFvIYM1UMgOs30X53RQ,2501
openwfn/api.py,sha256=Dt7qD4xYOMy07DZEg3Un4rBEwagoq6uDluMaiBweTyA,12371
openwfn/app.py,sha256=jvlEaLGpgCauMQUUX9-LlbHn1Qg6SiNt1drXlRk1FyU,3504
openwfn/assistant.py,sha256=HeD0QTCkFX1EtVA-5m0x0j5ypMQIHedMS6mmzzz7e8M,15367
openwfn/assistant_connections.py,sha256=b7K6G3VudzfnqOHlL2ds6xzkGbq7IADlm4-o3AbZWiY,2199
openwfn/assistant_conversation.py,sha256=YdUU6F3e6PQ3q4oWSkf3rxv4g5j1bRTTLYOZ_yXPC90,3482
openwfn/assistant_display.py,sha256=UuBMQ0g_EeePmZLofhoaMEnVwlGGlp5Aom9exjdnXhY,2812
openwfn/assistant_model.py,sha256=XnMOznFnv_KywbVpC9uLQOh8vRWAiDGNdaEZ2DO6878,12208
openwfn/assistant_terminal.py,sha256=8L6o9GdaJwIY0aq14hJdNsI7HtFD0BtAA0E1UyVjUk4,13049
openwfn/basis.py,sha256=CYvv6D-bhhsqPdmc8AVZljfVQAp0wDPaeXJTgZOcZ6Y,1155
openwfn/batch.py,sha256=w25eEM2rI5NZB2Q1dToSFxDbX3vnB6fW16g6o_cA1Ko,20027
openwfn/branding.py,sha256=YfT5LB0tPlSdzY7jF7aOysZISUNMzJlhc5lg7O2_8zU,2961
openwfn/capabilities.py,sha256=mqa6BZf9QHBOhsq-vAHzcv9Xo6Abl4v02XTkYCwAwYU,8090
openwfn/cli.py,sha256=-7OXpQ0BOhG3qcPn0-Kf428fKpDNtgaD8Erh5Wnr8rU,52365
openwfn/commands.py,sha256=XHJxG0H9gHgEwGTXXJeHK38gdvoSs5saCjQVj5d9oIw,8281
openwfn/compat.py,sha256=Q0MrR-fuJvpEe4exyWn9_Fc_vJvD65SsvB67ni6LDFk,6398
openwfn/constants.py,sha256=ytwRICei6uBPtP5pasIhtBzQkKdK66XZvDqHWXak0yc,4670
openwfn/data.py,sha256=cHrAhSmERs6z1AKUiWzlc1hgRTfU_HwcNJaqJMgUDgU,8017
openwfn/density.py,sha256=onQBSyinYJ4SAXcOmP42AzsrOAUoXYFIACrjsJoTuPg,744
openwfn/errors.py,sha256=upBgu_INKLLflbSM9bxNrfS_qESp9f8laK0k5UpX-38,848
openwfn/examples.py,sha256=C-79ka3_44dGPGHKXE38ueKfcmKKN_cbPVtro4GxtOo,2250
openwfn/excited_states.py,sha256=2x_QBsRbwe0m7rZpwayqywQ2vFbaPn_bTXk8_glIQ14,11703
openwfn/export.py,sha256=Q_UlJHMGYTiLiYjemB6V94b0vj1jbCSo-KcLD2RmgeY,19864
openwfn/fchk.py,sha256=1c9gWV-KwQhbollG1OnWJVdUQS5rRYQ2NHf5e8CTLHg,4322
openwfn/formats.py,sha256=UNQdFpdwmlmFqfdpQPMJavGsgvuEFOuwRZvrctF3roc,3001
openwfn/geometry.py,sha256=OjDd4pYOHynQlsQ4GZEtcmK31lZGfk07GZECSeZsaok,6706
openwfn/graph.py,sha256=Fn-4eSYQ56ouXelv17cw-LvNvJRF4ygHxhJPgBTVOoI,1623
openwfn/grid.py,sha256=vDeB5A4VaaJCHz6JG6mdLFQC2pkTVWlZ0qOJTAoAOPM,1462
openwfn/guided.py,sha256=FVvmjmE3Cxn9sBW0G89S0AetiDHMBv3fvjJww2mg4c8,7297
openwfn/guided_exports.py,sha256=h1znuKPIF23a0UJZlNkldFQFHjDCj6FwzMhcgOyuyIU,1422
openwfn/ingest.py,sha256=4Jw_RBL7SnyE0EzkI5Jzsl2GrM0iUxIaIeHP4P3yGVc,14566
openwfn/inspection.py,sha256=NTn0OT1TyNg2io5T-7Z60a7albNRHYRPgI8vhhiQSJg,1954
openwfn/interactive.py,sha256=uQTYWEEFZtdcn21BpPvaWV4HJnkFRrS1si0Lj11-zB4,34399
openwfn/mcp_server.py,sha256=19i5U9i2rZABgfh8kkDovUpKtQblpeOxay_ryzPqatE,8675
openwfn/mo.py,sha256=RRwiijiJWx-8xyF2NipP0U3A68dGXbBUbZdVq-UtBL4,1591
openwfn/model.py,sha256=IbMrindIrC13DHqvAaTO4tgND1FkSgPY0SZHvqING4o,9365
openwfn/nci_services.py,sha256=RbvTyoVe0ilDspOh_kDZ3E7a9ukpAmAeYUU0opztLaw,8813
openwfn/orbital_services.py,sha256=VRtmhzxacGE-yUG09EPTFlwpqVBmFJl2m7fvrt8HO1c,8304
openwfn/output_properties.py,sha256=Zb4K11Q_cbobNUNRjOd5Fpp6ia5BWe7-qaiGmjrpCyc,9485
openwfn/palette.py,sha256=tOM728rlEzIi7JFEiqsbC75Q-RVjkjiF14P0V0O7P88,3325
openwfn/presentation.py,sha256=vTbCbqo829rUBi46kGQImYl8GwF9J5oRrqTEAO4sB-s,12158
openwfn/reporting.py,sha256=0cfjHUKXuJGOqHW7uS23lxXU0AwYowXpa8sTFSNE61E,28972
openwfn/resource_budget.py,sha256=73u_nDkc86_-9f8aAslTPmgTQbIptO5r1CwGcZpMH2Y,10434
openwfn/results.py,sha256=PYsxTZYOO-5y7Otev4kvRl4GWS6-JkISKkh7Y_0RxIE,6051
openwfn/scientific.py,sha256=pDgOQT1Fd0lxawm0oEmddJpHvCwjNpgV3f3cNn2aAdo,4102
openwfn/services.py,sha256=JnrmpwDqiAzD1bvIbCDzjhGkzmduTKfkPkbhdIZWA9U,34110
openwfn/spectral_services.py,sha256=QtHtI9lkrVuZ5d0ZfSBGdfleMUSFRnfoSja6gz5r8mI,8143
openwfn/spectrum_math.py,sha256=LxV02DY99yXJ2ohq9cCypQtD4yjYllBHkOP0XciKpPA,3056
openwfn/terminal_ui.py,sha256=wTZlnNK72G68AeAhA0ilAmIIsX7CLbxQhP98arTwOE4,1216
openwfn/tool_policy.py,sha256=MptXNcuNvE1Ex819WIAIqRp8yr5UYq4yc0E47vHiEmA,4366
openwfn/utils.py,sha256=jmE9c1bk-isMbAXX3r1-j_VjCY2cHK3mPBaNAkee0rk,3983
openwfn/vibrational.py,sha256=l9xIcJT-2jaV56NtrPPXv4jVdl5y1HNYOlRcbhkDsrk,11985
openwfn/vibrational_services.py,sha256=PPWR1u-CVuoAbKShudKyJ5nv-wWEoTJqhYP0__q-QMw,962
openwfn/xyz.py,sha256=_jkiM9erSgQke0dadRWMVq7kDUZW3o4Y9gVnMJTWcp4,536
openwfn/adapters/__init__.py,sha256=bLTHLcfddBwnDzvaEJwLjF5rvrNmN-JEmHbfp1ynRvw,74
openwfn/adapters/iodata.py,sha256=6h9Hj8RgdSH6J15YwSneEJAcrQ8nQPveZ2PiB4nW7tE,28439
openwfn/analysis/__init__.py,sha256=Dx7TkBHb0j_PCjRuoWFaIHgsWuhL08v6ZyJSS90skhA,69
openwfn/analysis/atom_quadrature.py,sha256=xk8SOuhp6Ire216WXmOqVu-ZtU10OkqX_bglR_mrzhQ,7526
openwfn/analysis/basis.py,sha256=qhX1o1sVDlbvVlK3DD5WJiD_KJw3AGzN4oIxMmTZ7r0,23302
openwfn/analysis/bondorder.py,sha256=JDKUq-Cj7YYkFWovxPJstEJcU02eUtmIEvmj1R0YmcE,1289
openwfn/analysis/composition.py,sha256=mrvc0O6zTWz79YNAdDC-jV7XZEK_Y_0R8JPLt7xiB6c,1658
openwfn/analysis/density.py,sha256=F1GB8WaUQfUB-puEL7fI_oOO4lIhAs-TK8Ms0QOueF8,4778
openwfn/analysis/electrostatics.py,sha256=ojaaWmn8hGTpDQ3tt7ND5LKU_k44E6q8CcrK6U1wf4I,4759
openwfn/analysis/excited_states.py,sha256=Av_UPWFXMDQK1Y5AaAyBNjpn4lr3waDgvbWPTF0aj7A,11144
openwfn/analysis/gaussian_coulomb.py,sha256=CYZaqGUQCsKprRNSJnK-pYnKgm6HBjcHgPUsy0Dmn8Y,6013
openwfn/analysis/geometry.py,sha256=S_7of7S0N60t3nXjscU0vnNrEizLhBCgNxJfCpZw9Wc,2855
openwfn/analysis/grids.py,sha256=Z3bsqYQNeukjUXDci8JE1CDJWRFmBA4ApG8MAOjVwmI,4639
openwfn/analysis/hirshfeld.py,sha256=leg_CkzqeoZJ2zI--0bWh-F_srh1h13VwASgOVgYAG0,11658
openwfn/analysis/hirshfeld_reference.py,sha256=9FPkhS75kSu2G-qAVCswx63IFNKJJnojdVy4IusuPx4,12781
openwfn/analysis/limits.py,sha256=ltrPW1uIwDWm-1fNbmrqOaj54IMUocwGeIKE5GqrBnw,2948
openwfn/analysis/localization.py,sha256=62NwQJYJQF4bIpS_LxNhXvMiqzmeF_mU2jkIos4Jx3A,17476
openwfn/analysis/nci.py,sha256=DbCP3t9tH93Pw4RxMtg63DH_y-gYBEHVghL1T4sQjUs,14810
openwfn/analysis/nto.py,sha256=v64BM-L5YsJHe4iJj26Ha1vKR9J2leAcE_aeC5ag70Y,22984
openwfn/analysis/orbitals.py,sha256=GBuN0xQSqUA9m3zZIf6tsoNMliNQUboQGpdOmrHs50s,2275
openwfn/analysis/population.py,sha256=K4fVX8VkP6V1hpMegpoCoIMDTGM5yK-Rew7eFo3pVM0,3556
openwfn/analysis/qtaim.py,sha256=L7k26qXZLBbaTyQVACdJDAmM2AL1H0HwenXrLb-muN0,26635
openwfn/analysis/realspace.py,sha256=fAQbullSJaKPQ4OWOGGpcd-EPZKgQ6ZWTn4Jh3pFVVs,9283
openwfn/analysis/registry.py,sha256=E83YXjVJMyNrs160GUaodO808fCK5ciiltHQ_QroZ_A,13583
openwfn/analysis/spectra.py,sha256=uzaDChBcgE3vKQgQRaP7FSE0rfuExeJdCJBUO3w8Hpo,2085
openwfn/analysis/structure_summary.py,sha256=qO4Hk_xoKwIeJ5ARzDL3fG7SZk1lka-0IpgHCSekq-s,2769
openwfn/analysis/topology.py,sha256=7DhpAP2MoI6u9n2STXj_35VmlDx9Dra_ozu51gVZzgo,2999
openwfn/analysis/vibrations.py,sha256=RUnbzbPmFDVYA4I2BZGTvmGfE_Bdvpzidlu1gUhJ5Tc,7391
openwfn/assets/3Dmol-min.js,sha256=wkoXso84pvvemc6nRuLXQU2ixg785l-nXVKTvtIE5RA,524112
openwfn/assets/3Dmol-min.js.LICENSE.txt,sha256=ZaePR5IMISrqkF57IkYFoz69zg08QKoNC9vMRRqqp2w,4260
openwfn/example_data/README.md,sha256=3_uQ9iyXxI6uB6knrGIoqxUK6aMh5MASVClm11iUU0E,540
openwfn/example_data/__init__.py,sha256=NPbNFoYX3yftfGc3xZwaHouGNjse3gFJl_tw3KSU9hM,63
openwfn/example_data/water.fchk,sha256=88bLXh-fIF5JtDkzm7CDMWD1a-aPQOHBCX2z8w9S3PI,89694
openwfn/example_data/everyday-qc/README.md,sha256=YmlN0ciFnMm-_w2tvKOomzT4_feNlN521IOCM0M64rg,4238
openwfn/example_data/everyday-qc/ammonia.molden,sha256=jgo5YXYcOBufS4iTcA2HieSWsZntpB50DS3Xqo5l_pQ,14048
openwfn/example_data/everyday-qc/ammonium_cation.molden,sha256=W01xM9eF7F2XgQL72PDqNwOLaswzDkRw5iQClnWeFC4,16653
openwfn/example_data/everyday-qc/benzene.molden,sha256=hxC6w5zRP9FTi7pw-7lSYd7St61ThQbWPDx7SrQ8W-k,42440
openwfn/example_data/everyday-qc/carbon_dioxide.molden,sha256=jISOlBqhF20edsr2GALANw4dAkOKQa2ARJl_Vku2cRU,54424
openwfn/example_data/everyday-qc/ethanol.molden,sha256=Xep21Gsv1qDPbCZLX_tl5n37I1TW3UhEeA0lLc2rYnY,16347
openwfn/example_data/everyday-qc/manifest.json,sha256=2i0ViJkV-Py-6qm73tgz_Jn3bBPk6m8WUBZESlUbp2s,759
openwfn/example_data/everyday-qc/methane.molden,sha256=e5YMdUIA9PErsNxloqVOHyXV9Ge-4DtMLV92_JW9oLc,4242
openwfn/example_data/everyday-qc/oh_diffuse_uhf.molden,sha256=7CIlAjl-UT9ACqM-1563yZsNO3IIvKwc6_y3RzrP9ls,25964
openwfn/example_data/everyday-qc/oxygen_triplet.molden,sha256=3jdy-MixzOqPTJ_CGe7GI5VaaqVersSYZhlJDDTOxYQ,48841
openwfn/example_data/everyday-qc/water.molden,sha256=vIhJLY8y-u8BwKoqXbxhhAyS9yk13em_5kzuG2UxuE8,2808
openwfn/example_data/everyday-qc/water_cartesian.molden,sha256=82SuGyC-fUemGh8xC2hS6eEqHUluAkTl9wI5DZ01hlk,12647
openwfn/example_data/everyday-qc/water_dimer.molden,sha256=5OuYlu8N0NTAGjZH4YNOiYakrtXbQTBO4T1A7doyYnU,59642
openwfn/exporters/__init__.py,sha256=OhOpGHy07wPMzs4-Su9cL2SpRSbN1dYW4coXSkhK0Bg,33
openwfn/exporters/cube.py,sha256=orVJDLFqJ18y9bslblnaBKY03yNqKbo8RLU2_upUo50,2543
openwfn/exporters/images.py,sha256=7iONP93ELVOSeyqkhsfcR5bXjQPqbKnXIwMOSulkPkc,2000
openwfn/exporters/spectra.py,sha256=FSwx0o0OcwtMMGt4T2vaxXltxTeUpIKe7Bsqa6wN7fo,7378
openwfn/exporters/structures.py,sha256=tS3NkXUzQVWJBughrdCfMuVcmslRDMEAVKlgXHX93Nc,3474
openwfn/exporters/tables.py,sha256=HI-Nn-_zczJZ9uqkh9tdZexdSsVQqwyXDtl7Vfgn4CA,7405
openwfn/parsers/__init__.py,sha256=lzH7BhCZNqiSszWyVsRMOFMxfbnDMgzE6NRAkFvqWo8,62
openwfn/parsers/mol.py,sha256=y8taqdtvzKzalxN7nRgGvxYO9HJbmzU0IzJKVABUTxQ,3931
openwfn/parsers/pdb.py,sha256=z95PSKyRHCIQt3pbRpsdzBcfX32x9n4cfqbKTPxZS14,2925
openwfn/parsers/registry.py,sha256=R3k50I9jFPeZ5gdCt2-7TZBy-iB6UnbkbojuZ_mI6PY,2593
openwfn/parsers/sdf.py,sha256=GKnxZsaRajgjLntqt8ZxLZsIlqN3QUB5QUK3F-d2HuU,600
openwfn/parsers/xyz.py,sha256=c26682KmPYa0xtGBmu_HmP8o1lWLN0YLIBOa5Etnc3Q,2051
openwfn/parsers/excited/__init__.py,sha256=75yP9PE83DwSaYfFA64Sa6853JiXsS1O3JtzQ8iBZe8,54
openwfn/parsers/excited/attach.py,sha256=IKejQOeiEANWLrA_KNm6HCLUZVDxS16sTkHl1opdKDI,3459
openwfn/parsers/excited/conventions.py,sha256=VJl0EkxQils_PBl5zdOwVcir5sVNlSxUuRd-vTOTzaM,6087
openwfn/parsers/excited/gaussian.py,sha256=sTsCjvez6DJz7gJVADsVGrtAkqWYzXwpR3SJ54whT9Y,9288
openwfn/parsers/excited/orca.py,sha256=zGiy63n-6RSn8Of9maDGPzyv0xf6Jmh_4C4WHhsKWUU,7221
openwfn/parsers/excited/qchem.py,sha256=4iNyBPj7hw74Z5b3wBlDEHjZamrFMfIH_JR1fG-9-7s,8248
openwfn/parsers/gaussian/__init__.py,sha256=qY52pJpMeQDa-h_HdQsI0RoTXwbVmK5AKyoi17TytUU,123
openwfn/parsers/gaussian/checkpoint.py,sha256=LqB2Wlw-mMHGTs8dRYGAeEGIMHc9crs8k4_yBa9xFXY,1426
openwfn/parsers/gaussian/cube.py,sha256=BDDl6C_6wXoXT-qlD5OdTcO_xl2faAD7mDvcW8gfLsc,3630
openwfn/parsers/gaussian/fchk.py,sha256=coTlf1UkWTXCAKdneVgRJ4wmsmdwLWcCc96v5MvYqy0,15069
openwfn/parsers/gaussian/output.py,sha256=KMd4F0kLt2XdU3KPWmuo4oeQfI-TG4BWi8r2GmAogjI,14547
openwfn/reference_data/hirshfeld/v1/C.npz,sha256=zesRCRsRoSuOdb17163HX1fGJHf_1lKSTUbmYe_lVvM,131634
openwfn/reference_data/hirshfeld/v1/H.npz,sha256=bgmBuvpnsRWS4v5jd9oK7v72aBbLPH93XHxHH45jw4o,131634
openwfn/reference_data/hirshfeld/v1/N.npz,sha256=xfcRBuoY1xdvUCdu_aoYL1XX_3h3fRnzxX_yAfP2kys,131634
openwfn/reference_data/hirshfeld/v1/O.npz,sha256=7QKRRkVmEO1GqQ7p-sGxounrSbQKHcONw2pRLYd5134,131634
openwfn/reference_data/hirshfeld/v1/manifest.json,sha256=bt5YqLh6BkMlYSaOrPtyK0YcHKgpJM_9jv8Rk5vdS30,3669
openwfn/validation/__init__.py,sha256=Wv5-3sc2RqljGhkBbaRR54LhQvHLoZDIgHbVh_pGv6Q,216
openwfn/validation/convergence.py,sha256=NAxbn6D16QVG_EtQVRpycX-_JtrUAuqoep1f_xEnAm8,3018
openwfn/workbench/__init__.py,sha256=sR3YsHL8oHONTQRn5RC1OtxvHditATVcpaCGN_7FnLo,1053
openwfn/workbench/export.py,sha256=lh36ySHsczgxMg_WjV2p0KMCHRoio4JWHNYnkbimnnQ,26107
openwfn/workbench/payload.py,sha256=qli94VxG7-tc-XMwdPOhiLNBRRF8sx7d2X-iHZ8hQmQ,9451
openwfn-0.12.0.dist-info/licenses/LICENSE,sha256=-S3I3rMDLKLNS0t6c3-Xpm4fJGfa_IMMN4aJS4iVDhk,1077
openwfn-0.12.0.dist-info/licenses/THIRD_PARTY_NOTICES.md,sha256=QRvrvZBi_NfePVgowZHCDP9dBvem_pJs_yPBVPPKuIg,2495
openwfn-0.12.0.dist-info/licenses/src/openwfn/assets/3Dmol-min.js.LICENSE.txt,sha256=ZaePR5IMISrqkF57IkYFoz69zg08QKoNC9vMRRqqp2w,4260
openwfn-0.12.0.dist-info/METADATA,sha256=zt_I_xo58zZfhs1916XTlDbg3qegYeqMO5hYr04lo-w,9243
openwfn-0.12.0.dist-info/WHEEL,sha256=YVMoNqKzERt-wjUZwJ33xBGAwnFl-4cqbYkTtWa4itE,91
openwfn-0.12.0.dist-info/entry_points.txt,sha256=zEOZ6s6wEdrivPFDus8kXBGYBeNy17FX243alZn2h_U,45
openwfn-0.12.0.dist-info/top_level.txt,sha256=0BUH7VbloX9I5Jy_UxMudo9VWsQpBF8iOGt0a_4Rxto,8
openwfn-0.12.0.dist-info/RECORD,,
