atomdb/__init__.py,sha256=KdBMN9Zkkx3KT05F92L7-J0R_Zeaz7Efm5Q4HwxvCfY,1513
atomdb/__main__.py,sha256=IH1jatU2WbTQPuxf5uLtsjnWl0BxKsdVxzoOvQQX0wY,2005
atomdb/periodic.py,sha256=RvlAZY56gRXcofW1B2jf141Hb9aLuQvg0Bh-7zSK89s,8446
atomdb/promolecule.py,sha256=LzZYxycRV0gFHWb8DcsI6SLiLoqmjselXP12BVILUxg,26656
atomdb/species.py,sha256=IwE_ETfnMSWgWJAyCJT2Jqq5xVeIgKodTo4fPbUcHpo,31347
atomdb/utils.py,sha256=5-jiCIPy6-p0pF8gTFB_8MfgGI79eqATlwnl12O1V6U,7206
atomdb/data/atoms_uhf_def2svpd.tar.gz,sha256=HdYbSY6z-BeJMmK3Bab9Cvl4pmDq7zyj7godzjMDlXs,16218245
atomdb/data/c6cp04533b1.csv,sha256=e2wO_r47LZ-eLp2VoqRqNXn7_gh7E-D_HRY5s8ukiTc,137428
atomdb/data/data_info.csv,sha256=KIsKoRjUc7zo3cDuGNwKBryp6dbXaG6mPpZrOOg673c,4932
atomdb/data/database_beta_1.3.0.h5,sha256=S-5HZAKw48Cyvgf5NWCQZtICUC4M6DHupHNuaxM0nEo,11782376
atomdb/data/density.out.tar.gz,sha256=ZbnlY4gHAnZjfKtbaaCT6Q1Ewi1QwuAWZ2dpRkCWwa4,10444155
atomdb/data/elements_data.csv,sha256=n9HuLMJDcCgzopxVVSrZLlLu3mrlW-zEfIN0v7Y9bLY,11969
atomdb/data/multiplicities_table.csv,sha256=JuevKGyc0nVcMWvAxckU-7vaikdIw7DaLdoFCFvwL6s,21309
atomdb/data/slater_atom.tar.xz,sha256=lu24oVgKN2jBOinAGxFaKnuF_iljLdOdCuUbaVnkN9I,140100
atomdb/datasets/__init__.py,sha256=73tvstJ_bjtG4UegKFNa_RA1dRhlzjXetVShrsm4iMY,647
atomdb/datasets/tools.py,sha256=7ajg2T7-qgPGjQT2yhYK3prR3XqickMI5zcM5EZWkyg,9465
atomdb/datasets/gaussian/__init__.py,sha256=m4s_oXele-nnRUEDEmo2KwCDvxZN2_N2Ef0qFk2_09I,673
atomdb/datasets/gaussian/run.py,sha256=Cvw_lP9C00aO0xXTBL1KnBQDlQ4cFc-ylYurjErT820,11570
atomdb/datasets/hci/__init__.py,sha256=UwBIDj_rc3u3__dYfefBfxMTboS5mWnMGYqPIqL5Bps,991
atomdb/datasets/hci/run.py,sha256=UK0H8WPYBy-6pSgdBohy6TFkzt0iitLD5P90abiJp5Q,9624
atomdb/datasets/nist/__init__.py,sha256=4fJLFyaLrWhJO9oCpKAxH_QmFTEvj5tfHmqFQTt7pSY,669
atomdb/datasets/nist/run.py,sha256=cXDsuG69Am9WzoA4JCAl63L2GAHrXavnu4iMMckLT0g,7916
atomdb/datasets/numeric/__init__.py,sha256=jJjSQXD7NoRFM1Ik33_mTVaNqWMHDsc7l92r7qEll5k,976
atomdb/datasets/numeric/run.py,sha256=fFkYWl6Gadw0iLmicG6JxLhoA98i1bRZe9HGa11lkRU,8049
atomdb/datasets/slater/__init__.py,sha256=l9Q1DIpfV3Mez_RRO7l4DYjWlcU7jiA0pI1hVMlQNig,1297
atomdb/datasets/slater/run.py,sha256=r_Bu8AmJdCHRDM4oxkNU5xas_j-Alk8JAsJVnQH8fSg,39478
atomdb/datasets/uhf_augccpvdz/__init__.py,sha256=0Y2C2maTcJB6S8hwlvtM6z9T6jIA8atmhWn7Bt7ZNhM,668
atomdb/datasets/uhf_augccpvdz/run.py,sha256=HBtds42i-1Yl-lcOwvLJlWgHnPNeoTxtHn9qhPrlwzk,7545
atomdb/test/test_api.py,sha256=FHNT-yUFAFbtBHSuCg610bWtdNwHKTC_dLQ_CbNmekA,5677
atomdb/test/test_gaussian.py,sha256=U5S6fU4oZKagwW-NetOTHB69BH5fjVxALqzKclyjues,5275
atomdb/test/test_gaussian_dev.py,sha256=NCZHK2uF_B3SeEUoyUKFWD7eof8ojtce2g9A1Pg1Xpw,6327
atomdb/test/test_hci.py,sha256=t3YyA4qKQz7La--27kiWo-mcZDUG6IlXzFM_J50AckA,3242
atomdb/test/test_nist.py,sha256=4mS-PolNuLJES9Digu26qo0HX-Ke3v_0PkqTzpK_DQg,5008
atomdb/test/test_numeric.py,sha256=CG__M5_HXS67BN4MKLheee9LT0zOvLDUfc8Pt3mDLKQ,9292
atomdb/test/test_periodic.py,sha256=fdsGlN7Rp0Iiw_m1IGNMuedbKtHgMHh1xF_9HJeF250,3119
atomdb/test/test_promolecule.py,sha256=ZFLLxhltpAIYzAOUPxQ6fTqjnSAyNXp4HYHS9BxMhCM,5935
atomdb/test/test_utils.py,sha256=biWGn43noApaOG_intwcC2V0o1Mg3FLUHfMkgm5VmIE,1504
atomdb/test/test_wfn_slater.py,sha256=h33WjTbEi6SeFp_oB5r_YFxdGH4PdORIsOCQWD1-jjo,11603
atomdb/test/test_wfn_slater_dev.py,sha256=7MqGUhDNu6G0RBtZTyYteC7EFy9lhfFpK0s9Z3wXTUc,20798
atomdb/test/data/gaussian/atom_001_H_N02_M1_uhf_def2svpd_g09.fchk,sha256=IXATTrZgHrq_iF2tmx7hpxfs3S9IehnrClZDKJPSPlU,14438
atomdb/test/data/gaussian/atom_018_Ar_N18_M1_uhf_def2svpd_g09.fchk,sha256=rD5Np2OiEMEaLoyZw9PczO1tdgiRkQN_Yq07fgpYLns,48762
atomdb/test/data/gaussian/db/B_000_002_000.msg,sha256=IgYgpdlba0lS1q4vu0L8HF0uY9u6RU65tje8jvNuz3M,1321921
atomdb/test/data/gaussian/db/Be_000_001_000.msg,sha256=oZHhMGjIhnyMOYTX7g-kVqnn8Wsqs8bn8ejw9Is4pEI,809663
atomdb/test/data/gaussian/db/H_001_001_000.msg,sha256=5w0XzqfNyJqEclihqRKzxxzAcfMwko1SK31zzi-IZ-k,553354
atomdb/test/data/hci/db/H_000_002_000.msg,sha256=xZSGn_2EIfl2PLYFJ-WdN9oiXD3TJR-UJg0MVDQx4E4,599188
atomdb/test/data/nist/db/C_-01_004_000.msg,sha256=AiEgz-JByxd7npDeYVd5S-tXrTLgH4tNuNNg2ohw25M,1085
atomdb/test/data/nist/db/C_-02_003_000.msg,sha256=3cPTtmWx5t2wydJSxLT8r58o1vt3CcFfi12Y4rQKBzI,1069
atomdb/test/data/nist/db/C_000_003_000.msg,sha256=6tDANFo4zu4bMBJm3hDJVx_a7S5xGgIgtEeZIL3Zris,1301
atomdb/test/data/nist/db/C_001_002_000.msg,sha256=iTQwpxfeU-UFRc5A-DoAyJWfReERqHGM8tMMIuAawkM,1085
atomdb/test/data/nist/db/H_000_002_000.msg,sha256=asgconjCsemK-J0uqeAYwHZvvQQdLliODjTSq2IKiGc,1268
atomdb/test/data/numeric/db/001_q-01_m01_numeric_gradient.npy,sha256=9ZGuleYbg5L4dI-urybyHd8X8m_2szw7H4dXfdWilXA,1240
atomdb/test/data/numeric/db/001_q-01_m01_numeric_laplacian.npy,sha256=7HudXwDP58P8MTAAt3zn-CpNmBKgMb8uYTQhXN3lkoQ,1240
atomdb/test/data/numeric/db/001_q000_m02_numeric_gradient.npy,sha256=PSlPOvR2cjLMP8F4ZaLALnIEIF7ZSP_01YNKicI8z4A,1104
atomdb/test/data/numeric/db/001_q000_m02_numeric_laplacian.npy,sha256=_GWAD2yx-vEKE9EvL4HfDw-SgeipS2nBPUY6LQmh16U,1104
atomdb/test/data/numeric/db/004_q000_m01_numeric_gradient.npy,sha256=NkElWmm8l24bSot53DPrC9x3ENa79_9E650l9FncSzg,1296
atomdb/test/data/numeric/db/004_q000_m01_numeric_laplacian.npy,sha256=9H-VE5koi__nJJ7_Ggq-woTjqacMJoPM-fRPOB44zPU,1296
atomdb/test/data/numeric/db/010_q000_m01_numeric_gradient.npy,sha256=URIJ4r-YWxwCDLWTcLpVQWaECcptb2qFmTAWdEuK23Q,1336
atomdb/test/data/numeric/db/010_q000_m01_numeric_laplacian.npy,sha256=h71OIptwndNDtMweBolU5mYXWvsIDGoVX0pTSMFlh84,1336
atomdb/test/data/numeric/db/017_q000_m02_numeric_gradient.npy,sha256=CNlHS3sBhb_6x8foluSU46tdOqPbfzL6tXeYvOp5R6k,1440
atomdb/test/data/numeric/db/017_q000_m02_numeric_laplacian.npy,sha256=BEanWowmxud38lFPkIe88wse6whYF8pA2nmF5L45fVc,1440
atomdb/test/data/numeric/db/Be_000_001_000.msg,sha256=M_IBWrkRRCEqGoqNMlTg02PO0neK3s7REKifF1lDzD4,5874
atomdb/test/data/numeric/db/Cl_000_002_000.msg,sha256=TnPs3iHIl4M2D5noe9OktIq51MutmCiCePtNidlv_Fo,6466
atomdb/test/data/numeric/db/H_-01_001_000.msg,sha256=mDYGJYDZFziUUSKMHLXkHSweYTvTNRwytHgEKk974wk,5473
atomdb/test/data/numeric/db/H_000_002_000.msg,sha256=crqpJnZI7S1fFrfeyqmb0ZiSORXUGG75ca4f0HjbmVs,5096
atomdb/test/data/numeric/db/Ne_000_001_000.msg,sha256=QjJce1cnkWipq33UjEw9_7R5t-aV8zgudPoF_7bxizA,5995
atomdb/test/data/slater/db/001_q-01_m01_slater_gradient.npy,sha256=0Llzw7oZTEFsT_urxbtHFQIaJBLwNioaKLSzPH06P-c,80128
atomdb/test/data/slater/db/001_q000_m02_slater_gradient.npy,sha256=oj51nN_ovZNQg8u04HOT58FaWmcYfNM6NMlDBzmOonw,80128
atomdb/test/data/slater/db/004_q000_m01_slater_gradient.npy,sha256=u9hL-78AzyGnWGwD8FkjEKT1oFo0FOeLpMsPDU9WK4Y,80128
atomdb/test/data/slater/db/010_q000_m01_slater_gradient.npy,sha256=ZKrm2auZNjGbzGeIa303wV2_xTxBzLOQuVomVsJPvkg,80128
atomdb/test/data/slater/db/017_q000_m02_slater_gradient.npy,sha256=bwHp8FUXQAYtAidfbdSRIPlcgNRJRAtmtzxg6ca_Dw4,80128
atomdb/test/data/slater/db/Ag_000_002_000.msg,sha256=cZAVyb2x8w69ZcHDi6dPZFONqRM3KTMy3MaXyyHxoIM,15762023
atomdb/test/data/slater/db/B_000_002_000.msg,sha256=NIcIJzgeauwXrmbJ4y9vzgfP-zGABNmTrA5BrFv3JFE,3601446
atomdb/test/data/slater/db/Be_000_001_000.msg,sha256=0imLL45vIYoX-7ZxfVZqVYeCVx4ZdjGnSUWZM-yLEyg,1681350
atomdb/test/data/slater/db/C_-01_004_000.msg,sha256=29pNhmRoH1037-msopRPReRuwXEoTXZJH7CZ7oEjgKI,3601267
atomdb/test/data/slater/db/C_000_003_000.msg,sha256=RdehRnNLNPh1ygzcGkAYWVkWEfLZq7VpSeL0eJ7UUV8,3601471
atomdb/test/data/slater/db/C_001_002_000.msg,sha256=pLL5wdQhdDSDjM0ILVxErx3zesD2xO8k844NTXaOax8,3601267
atomdb/test/data/slater/db/Cl_000_002_000.msg,sha256=P7rCcddPUsm5ZaAYbJNCcicOmvSlvETDM6GO0zZF7P8,6161606
atomdb/test/data/slater/db/H_-01_001_000.msg,sha256=ClJllCHAK1KGD25UBNDFMSY9H1u0_yHPtSBcvPABd7w,1041136
atomdb/test/data/slater/db/H_000_002_000.msg,sha256=qdSVY_uJnMnyzFiS1oeqidbT6uI1v8PWumI7gvywJ1k,1041312
atomdb/test/data/slater/db/He_000_001_000.msg,sha256=OkHj0gaQaDquN4td7mgRxoYPWTMSP0UklKSv62hStdc,1041262
atomdb/test/data/slater/db/Ne_000_001_000.msg,sha256=eHQPjpEGm6KBkY__JWBywHhQeGC-UlqsZUHJSFdnLi4,3601407
atomdb/test/data/slater/db/repo_data.txt,sha256=LDfWUf1-mcMiXOtRYG2KPk3cTn8F39TBMHr2lf3jD9w,929
atomdb/test/data/slater/raw/anion/al.an,sha256=vTdCMjSfsBupreu7btsOjotsh8Y0IgkMl7s7vCo87jM,1894
atomdb/test/data/slater/raw/anion/c.an,sha256=1BJs60RPjcEuVd7TJClmExTfipDHGkyjCOtjM_6Xgqo,1260
atomdb/test/data/slater/raw/anion/cu.an,sha256=DKqpCKhW4oejNf2FxABNNjpng9zrWsMljNmZxOFUd0o,2708
atomdb/test/data/slater/raw/cation/al.cat,sha256=MkEFyuCRdjxFLZXmxixYbKWCmkn6prAmzMjisL_Ckmk,1478
atomdb/test/data/slater/raw/cation/c.cat,sha256=yp1l5pD70v8n68V4HkEM03zwPkwMoJ1VQK7-IC_Qmjw,1181
atomdb/test/data/slater/raw/cation/cu.cat,sha256=aakuzKTPtYhk1L-U0rUG8U25IgMBHCunYK-OnGPoDKg,2322
atomdb/test/data/slater/raw/neutral/al.slater,sha256=RkFivwE3cnRzOJdNrcuaVbPBt7W9aFa3144PvpRMMK0,1744
atomdb/test/data/slater/raw/neutral/c.slater,sha256=aDpG910Loz2meTd42UxsfjqcmElEM8EXmufm7TRJ-H8,1092
atomdb/test/data/slater/raw/neutral/cs.slater,sha256=KlxoMXZrPrODwrJQKNukl6XTi8LbrbhuDdjkvqcTvcE,3584
atomdb/test/data/slater/raw/neutral/cu.slater,sha256=lD2OakWh4IJoL0ZH95gerT5LWwK8sfCGhjzMJoi8ip8,2495
atomdb/test/data/slater/raw/neutral/k.slater,sha256=OgDwt8akNqqOt8NqfCX3ifg54FdRA9-ZHJWwucqPssA,2101
atomdb/test/data/slater/raw/neutral/rn.slater,sha256=iTWQ_KKXXUK5eS6zxBAim2nAFrdgbKFmyuV7-agX4Ok,4609
atomdb/test/data/uhf_augccpvdz/db/Be_-01_002_000.msg,sha256=anhhDsLs9YsiFmaVJ9V-nSKgokdASF1vpIykdLHhXyc,77799
atomdb/test/data/uhf_augccpvdz/db/Be_-01_004_000.msg,sha256=5OGcR5iBlylmzU56ZnCSvII0N0iIv35Csq5nm_hs93Q,77799
atomdb/test/data/uhf_augccpvdz/db/Be_-01_006_000.msg,sha256=G0IF_pNev4z3DT4bzw5yUZQy3YQxgD3xU0n3kkI5MXw,77799
atomdb/test/data/uhf_augccpvdz/db/Be_000_001_000.msg,sha256=jKThV2Z8PwMBEe8Cxbf0fGOF7M26F1GuwF2bmqVrV10,77975
atomdb/test/data/uhf_augccpvdz/db/Be_000_003_000.msg,sha256=xFKod2f0PyWJg1inebxX9sBcFbHRxJ7iDRdoy3Fg5NI,77975
atomdb/test/data/uhf_augccpvdz/db/Be_000_005_000.msg,sha256=k1__WRLQNAHV0bmcda7fjuxgHtwbJNpgXIFnPUbMbbs,77975
atomdb/test/data/uhf_augccpvdz/db/Be_001_002_000.msg,sha256=3nxjmYe14DEtw28aqio_eGz8p5B_2RFgn1qGutHIQrU,77799
atomdb/test/data/uhf_augccpvdz/db/Be_001_004_000.msg,sha256=J8ANJ0JpScbjLgt1Cg2u09zU8dT_0dpwZsqse3mfaJ8,77799
atomdb/test/data/uhf_augccpvdz/db/Be_002_001_000.msg,sha256=xFKOHL-vYCe7T3i001V_ABtuRTxlH0I60btmRAXO4WA,77799
atomdb/test/data/uhf_augccpvdz/db/Be_002_003_000.msg,sha256=O4zg06JSn5CXGToqU1B8WbeoeYdsjMKqlu7GalPKlFU,77799
atomdb/test/data/uhf_augccpvdz/db/Be_003_002_000.msg,sha256=Z9aapcdX1nvX0LYANIuWn8VXR9mrapOg1aKOX3wONhs,77799
atomdb/test/data/uhf_augccpvdz/db/repo_data.txt,sha256=kSNcq7aTTgH-dI9DaasBXeSDlHjecitB1zcqojZPSOs,1015
qc_atomdb-1.0.0.dist-info/licenses/LICENSE,sha256=jOtLnuWt7d5Hsx6XXB2QxzrSe2sWWh3NgMfFRetluQM,35147
qc_atomdb-1.0.0.dist-info/METADATA,sha256=wgbjgmPjPeamFUEkK1cCDsqVTRxYaFsnNnvzrMBpV8Q,7025
qc_atomdb-1.0.0.dist-info/WHEEL,sha256=YVMoNqKzERt-wjUZwJ33xBGAwnFl-4cqbYkTtWa4itE,91
qc_atomdb-1.0.0.dist-info/top_level.txt,sha256=KMQWNVSTIgSqyviS0eCKdPdFemxQGloRqdPH86dBzv8,7
qc_atomdb-1.0.0.dist-info/RECORD,,
