gpu4pyscf_cuda11x.libs/libgomp-a34b3233.so.1.0.0,sha256=On6uznIxkRvi-7Gz58tMtcLg-E4MK7c3OUcrWh_uyME,168193
gpu4pyscf_cuda11x.libs/libquadmath-96973f99.so.0.0.0,sha256=k0wi3tDn0WnE1GeIdslgUa3z2UVF2pYvYLQWWbB12js,247609
gpu4pyscf_cuda11x.libs/libgfortran-040039e1.so.5.0.0,sha256=FK-zEpsai1C8QKOwggx_EVLqm8EBIaqxUpQ_cFdHKIY,2686065
gpu4pyscf_cuda11x-1.7.0.dist-info/RECORD,,
gpu4pyscf_cuda11x-1.7.0.dist-info/top_level.txt,sha256=dM_KSyz2pya5Wp-GNk7TGHL0nlh7EzSzqEz2tP27II8,10
gpu4pyscf_cuda11x-1.7.0.dist-info/METADATA,sha256=kz6S_cXQMCzmvrKHBuNzov5dpYpUDYRPzr4-Oue-EsE,456
gpu4pyscf_cuda11x-1.7.0.dist-info/WHEEL,sha256=Z1rj5AD7pftCliHu1ktjW364CsBTEBwbH22AWKhjHnQ,144
gpu4pyscf_cuda11x-1.7.0.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
gpu4pyscf/__config__.py,sha256=Vg0eGyrBCrgi7XQYabrtBOdJ5pZXe2IzmYpmzebLzo0,1811
gpu4pyscf/_patch_pyscf.py,sha256=SvBqRpooR2AhOH56ubdiLn6rGRYU_1OTHk6YiPouWGI,14037
gpu4pyscf/__init__.py,sha256=ZwG76KNOAFXRZRAmfxCZ01Ha34sTF161P52AJYg6V9U,867
gpu4pyscf/cc/ccsd_incore.py,sha256=hqEwDGXffTrjS8lIlQnISy6RS85xUZH3PPBn2Gy-BUw,23994
gpu4pyscf/cc/__init__.py,sha256=WGdoKtN2vgIYhFf9GZ8EeiWSu_5vmrMi9mJEudYaFeM,26
gpu4pyscf/tools/method_config.py,sha256=ivIUKZtKEdyfoI06g6odeTmR3nVPpPNDPvxHeAR2ftI,3778
gpu4pyscf/tools/ase_interface.py,sha256=ZwrpK5vx9g1HGVZDGhYY1ADYkeSu_heDMkFrc4pIq8k,8920
gpu4pyscf/tools/__init__.py,sha256=TSTN6M-V-Nq6YWB52f1vzWkZARRo2pXgIo3dNDsGvY8,673
gpu4pyscf/fci/direct_spin1.py,sha256=Z_4BOS-wV9_a0Nmltngz6eDshr5VTej6xx9HxlAauSU,6421
gpu4pyscf/fci/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/properties/polarizability.py,sha256=v2MSp2CR-Q79ZlCDKfZtY8ThDqA3V832sVYKR07PiWQ,3284
gpu4pyscf/properties/c6.py,sha256=VV9sskE1VP-S-BN7w1MiYw9zlJMGHsGhD1rZ5VZ7WEM,6155
gpu4pyscf/properties/eda.py,sha256=MJkzGWhHrHASH75ZgXgs390uoS8Iz57icMkKI4RdDaw,60932
gpu4pyscf/properties/ir.py,sha256=Wm1xBPGtlrfzMxPq5i3zn1wIJ1xx_2xpKymgfNlOYac,5258
gpu4pyscf/properties/raman.py,sha256=IWbQWw1gMMVkwmfCEwbCLoPM7Qe7iR9nVH9tEp-xVlg,12034
gpu4pyscf/properties/shielding.py,sha256=dY-rTwVNFhhHfsi3TQ6E0d8sztEFPUWjXzGxmkhRhzI,10057
gpu4pyscf/properties/__init__.py,sha256=ZdO5HNiv3LLftaHjzqvKSnckM7vWb0cnqPSWA9Anq9Y,682
gpu4pyscf/mp/dfmp2.py,sha256=9RLFMIB1yu4dL4AaCIn7VZASSNrQGzWXnqDlw7JmZwM,7133
gpu4pyscf/mp/dfmp2_old.py,sha256=-Cnq1kMOcoVeEm5MUxVapwQxti0Zmvse7t1NE2a6E4g,5797
gpu4pyscf/mp/mp2.py,sha256=IKSJaN9iqW2Pk9JC4-iLjSdhrBChlUA8nLtJeFMZKDw,12302
gpu4pyscf/mp/dfmp2_drivers.py,sha256=Iw4xZ52XjyPllj6eI51nkOooOUlhxNcBhw8Dr2x3qJc,16544
gpu4pyscf/mp/dfump2.py,sha256=mRzY5Tfn3F3r5ar0UpAvoMEINY9IiiXGewV4FNp-HXk,3278
gpu4pyscf/mp/dfmp2_addons.py,sha256=Ejp0qBIoa012YiWxYtGX6ZzJMDI-LS01BNY3OWTq7Co,53230
gpu4pyscf/mp/__init__.py,sha256=c1gPd2HoZgma0wtF0A-Q2qFDka6ieVWIpZRAQLcZ8B8,1301
gpu4pyscf/drivers/opt_3c_driver.py,sha256=8UcootIr6woYV6mPigvVxdfmJLkE1SMBDivFrPZvXgo,6958
gpu4pyscf/drivers/ecp_vDZP_NWCHEM.dat,sha256=ni-nSUzSlkfKkHxlNcZGd1f8M_r92HzW-26v8kGIUds,41149
gpu4pyscf/drivers/opt_driver.py,sha256=mum_iGXf_i3vAvrsbFyDJ2gz02uCZvu-z_9aD3kVseE,4347
gpu4pyscf/drivers/dft_driver.py,sha256=JTukzH47JPOkvKYP0sb-apOkGwcDieen9Tar2HP5Pmw,9941
gpu4pyscf/drivers/dft_3c_driver.py,sha256=yDalGa2gaxmB06-iYTRP0rkffqlbgs2BVnH77zxbEWI,16999
gpu4pyscf/drivers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/drivers/basis_vDZP_NWCHEM.dat,sha256=SheNXW1kuj-68y40Hy9PU5bncsO5GVzukc9_HO16jd4,77721
gpu4pyscf/geomopt/ase_solver.py,sha256=WkDTZMfqGpaVYn2qhS-FQcnqlcclG_n-B8OrcE_zgfs,5576
gpu4pyscf/geomopt/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/nac/finite_diff.py,sha256=mKaF_F2IpYfZ0jRPPfMfKoKjgiQtEPQwyYKlnl4x0Bg,9382
gpu4pyscf/nac/tdrks_ris.py,sha256=Pt_hiy-gxNMzGlEe8ZiNeHUZjCbsz5949aQnRRgmWFE,19327
gpu4pyscf/nac/mecp.py,sha256=2smx1iqQfvB5MZL43SUblmsU3TAVcUHA33LlYlJRHbE,9065
gpu4pyscf/nac/tdrks_ris_grad_nacv.py,sha256=sLKU4uIpBYUUomHThNsPhWD4_Pdyadr3edTJzVs5BoI,29387
gpu4pyscf/nac/tdrks_grad_nacv.py,sha256=60WwOHnwFm6Z1cCITYB-GY54PtZW6XvwLwWOc0BbiME,32649
gpu4pyscf/nac/tdrhf_grad_nacv.py,sha256=V3wcJUNN8rr1L-MsrA3yd0DA4zyey2m6TJM--k0a6To,31100
gpu4pyscf/nac/tdrhf.py,sha256=-ws9IopHRII9U3w8ZJucZbI8BUqLIph8b29u2N4RFCo,33573
gpu4pyscf/nac/tdrks.py,sha256=jag_cUHvl_RuS35aT0nuSmdxEUg9wKw4YvzWfmfJHYE,26125
gpu4pyscf/nac/__init__.py,sha256=sEcrCkJpjTgLtoa7FOsXAdJLUmrfkxJXPqMAY-7Kinc,701
gpu4pyscf/scf/hf_symm.py,sha256=dm_2IOyyAUwPJF7ZSEvOXkzCVpQoUbnbWz3CR_2CyxI,724
gpu4pyscf/scf/j_engine.py,sha256=_L_2crrqcYYo3kGJQJUXowmAFODq-zhXb3eaTPcKM10,18699
gpu4pyscf/scf/uhf_symm.py,sha256=y1NUGQMpZ7e8go0D1eSDiOyJV5f9DrwJtcHynJqtzw4,667
gpu4pyscf/scf/int2c2e.py,sha256=smWv0OuOs5FXI2iMJDgBrV3gwhuPGIuj04qXLnPlvQ0,5760
gpu4pyscf/scf/jk.py,sha256=fMeIAW6HWnHY5IT1rwh1gHSo6263jjRTTzdGXkPGTfY,46644
gpu4pyscf/scf/diis.py,sha256=TPhWqcPpct00WI87IkTBIepsui9d28LVzUZdJBp5x9A,5258
gpu4pyscf/scf/hf.py,sha256=K40-kNrMQ2XPU9Uph7w7jfY5kltHGnklYoHFWBrT3E8,34771
gpu4pyscf/scf/_response_functions.py,sha256=dAyCjI6aTII3SvYEy3ewHWQXUXKDd__-9eZabjdlGT0,8469
gpu4pyscf/scf/ghf.py,sha256=s2BJmyQ2NZgJ9iSQX9I2XRPh5u_pCkES2pWeu8_hetQ,6732
gpu4pyscf/scf/soscf.py,sha256=BAH8XNiDYMgVI1eGqw4xJR772MLrco0ukEJ1xJKEvL0,27692
gpu4pyscf/scf/smearing.py,sha256=SibihYFoPvd0Xzn-wnhGzCJKnnj2WdTLSvxG3jAEJCQ,9170
gpu4pyscf/scf/uhf.py,sha256=o6mAD8lrS_ZdFuDehcmVfBOtvYL3-YvVuGfK6_pdrRI,11594
gpu4pyscf/scf/hf_lowmem.py,sha256=-SjEtWnHmmksKWlcAwFIkmR3FN-2Dc24WZakxr4RJgw,13783
gpu4pyscf/scf/addons.py,sha256=IeKI8jVaY_C7_O6_Jsf1psbT0RFPuV8ahS4t1ibCpI4,799
gpu4pyscf/scf/dispersion.py,sha256=FHpbgqCNjcC_ClpWDq4xhZF1J1j8sLgxR5Fba4QbT1Y,9743
gpu4pyscf/scf/rohf.py,sha256=Ut6y8dx5bI-4NLbgAw73ywkihuUfFgG7r6irE4jrigQ,8661
gpu4pyscf/scf/ucphf.py,sha256=MyIJvpleYfA9xHE1_7VWq7n4CDdgzxdWkCJPQwT5xx0,6266
gpu4pyscf/scf/int4c2e.py,sha256=NUvRNgyMXwAWve-Bj8u4cwvSYhaGozzW3fQu_Oez-TE,26950
gpu4pyscf/scf/__init__.py,sha256=hyxdQLvnUPuvmmLHKIHEYfh3ZZVnvxy5Mf_UvDMBBbI,1011
gpu4pyscf/scf/cphf.py,sha256=VLgSeCAJb05p6-bEMDdwOoHhUe5yJ33LeSuyM5oM2Yg,4956
gpu4pyscf/hessian/rhf.py,sha256=td-jpjy-t9NAELxT9oVcj0O1oIXs93uwfQpFwJjJr3s,38537
gpu4pyscf/hessian/uhf.py,sha256=gEt8niEdtMtCFJqlazAt-OWbMvin04K1RLbSq6LEgJs,17968
gpu4pyscf/hessian/rks.py,sha256=hnpsOIsIve1ltYRT6eFtOxmYqNdFUa2vG9OEo9Fw2X0,233260
gpu4pyscf/hessian/uks.py,sha256=1voAj_udj6i2dwDoo60Solu7O37Pr3V92l2BWB1zMdk,97473
gpu4pyscf/hessian/dispersion.py,sha256=g_GhW9wzJHfh49IAt1acKKgc39YOGMFu3LTEkHZ0Hb8,3622
gpu4pyscf/hessian/__init__.py,sha256=J4u5FHwzCYObsmtP9C_Tup7jy132HMsUniP3cL4ygT8,872
gpu4pyscf/md/distributions.py,sha256=z4OODDYYjf6vb9FL4TEGvMsQjfyxbxrpiNaOYJ0F7A8,1913
gpu4pyscf/md/fssh.py,sha256=QYwWUhfCfPCR9xlULDab5U1nO3qJNuytz-kDYC1M6s8,32890
gpu4pyscf/md/fssh_tddft.py,sha256=ouwIIpQIp0WrNjtK_jGN-ERZItoqMFMF5oaHTQfL8hw,7761
gpu4pyscf/md/fssh_tully.py,sha256=R96ZFeopU-CwYSkhnp1P2OTrD_IKvuxQoDdlhVymyi0,4337
gpu4pyscf/md/wigner_sampling.py,sha256=TVyJfSJwF0_AAZCfw-BeK7tu8wIh3XaKJBZLxSVczL4,3777
gpu4pyscf/md/__init__.py,sha256=KbLk1jVQFl1yfXZ1GS9MqL8CxvxsXRmwzwAkAVvTMIc,747
gpu4pyscf/tdscf/_uhf_resp_sf.py,sha256=siTzcWAgkPSDkFi-_5tUdcKqbxVwkVbtqAgvDADat5Q,11822
gpu4pyscf/tdscf/rhf.py,sha256=PsLiCdpn8lal1pLiCe5cx3kb4QloK7X_BaAfwjDHLiY,32507
gpu4pyscf/tdscf/math_helper.py,sha256=57GIiTIeeNEp40P6iQumU2I1mI7V2jGVYDpTkfzbOZo,26304
gpu4pyscf/tdscf/_krylov_tools.py,sha256=3Uz7dNWdUvQ9NH9tA6ih0oKeR5Wln-eiF7N4V-JSRKU,47951
gpu4pyscf/tdscf/uhf.py,sha256=AxvkZZA-e92blj3hQKKtVR81CteOwKNpoRif-RjtGaI,64295
gpu4pyscf/tdscf/ris.py,sha256=_ebJnGNqpQ01i_fNjWzHZEtpJKIMB-F16BRVZL-tHoc,65196
gpu4pyscf/tdscf/rks.py,sha256=MWc_AGyqadKiMIb77J29_aWfxZEwdMqmtqTua0hrNfc,6660
gpu4pyscf/tdscf/parameter.py,sha256=x6OSDMDRTS61Wa412J4akRL8uLdR-vkcouGBgCU5bLc,6035
gpu4pyscf/tdscf/uks.py,sha256=i-e8h7-SEvcMS2wPeIDzFzpwX3QfA4r3bKCQmDIUvY0,8464
gpu4pyscf/tdscf/_lr_eig.py,sha256=RhvbTrjnHADTnUHDQArI1ugigTuh11mM8sEWAjQX_ZI,53729
gpu4pyscf/tdscf/__init__.py,sha256=5NuAWRsy9WGukrqJesqcMF0g1cmLLCydK_1c5h8Y-AY,741
gpu4pyscf/tdscf/spectralib.py,sha256=TyZnhu2Kw7NjKlCglhsmmCiQznhnDzVbFwBJ03ETb1U,6822
gpu4pyscf/pop/esp.py,sha256=QZ-GTIDBC0M4-btcKwsf-LETS4VaX9qiJTq9THf38oA,6501
gpu4pyscf/pop/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/lib/diis.py,sha256=jZwqPQNfBvnQaKC7-Zn17vJFFy9VEhV2zVmcvF2OMKY,8088
gpu4pyscf/lib/libsolvent.so,sha256=w3TX7rdX1mjG17Ruc016XQHq-OfMr0SZdTFF_984FSE,1178705
gpu4pyscf/lib/utils.py,sha256=4pRYE4Un_Smw8WtQwawHx9DUIHKn4zN0sg-wbqoKQlk,5592
gpu4pyscf/lib/cublas.py,sha256=1mmtN3nZYV25m53ybMsHWwLZWXw0gCRorOn1UxqzDjc,892
gpu4pyscf/lib/cuest_wrapper.py,sha256=f1xcFY2_HokUIUMkzNrHXiyv12q_nNDVqQZ_FMsSCA8,207143
gpu4pyscf/lib/libgvhf_rys.so,sha256=caDHGwymKWfsjtmf8qrUqvT3v9sIoT5waguhFyQWPI8,20146465
gpu4pyscf/lib/cupy_helper.py,sha256=8cn9LSTw1hxTeO77PzB93kikTDA71lbnFr4CVOW_eJQ,41324
gpu4pyscf/lib/libgint.so,sha256=KLApAQoUhtVQnlttFlir1O4A-82LQrzHeIHXRd4RP-E,33966904
gpu4pyscf/lib/cutensor.py,sha256=FrI3p6mGDr-iPhlO_hExxhq5spcQuEytecPxZUBUFZk,6106
gpu4pyscf/lib/libgdft.so,sha256=flyxIzwTOyDTx6x7i1aSHeQ1lIkZBI3pSLEev_fB4DE,6663208
gpu4pyscf/lib/libcupy_helper.so,sha256=_vJLYmcFILnxDpWwSV--kK3Kc4z1x10OBm1k-TI2mlY,2788272
gpu4pyscf/lib/libgvhf_md.so,sha256=ZLEV5SbmiD0XSIu7yTyS3mmlP6nAlRiQEON_rv50eRg,10240849
gpu4pyscf/lib/libmgrid.so,sha256=_4Q5Yf4Tfe7byOl6o7COjmFUyQ6la3juxQAhlI15300,11019200
gpu4pyscf/lib/libpbc.so,sha256=VlAbCSG6dP8ObRlDQiUsxe18HnyYrcCvBG2Ou9vXKX8,7645193
gpu4pyscf/lib/libmgrid_v2.so,sha256=yTuf_HACUe0V8uL0aenIIgFeQqFj72LmdYuFK9xU1w4,40143040
gpu4pyscf/lib/cusolver.py,sha256=LQcB623vq3is3XgtLRFMc_1z6OvhsZNlMRbWyOhaLos,5823
gpu4pyscf/lib/memcpy.py,sha256=Ldjf7eWDLzn6p8zknaXTI7Km_EDwnafSRWu9C7kPH8Y,4336
gpu4pyscf/lib/libgecp.so,sha256=gAqvnF62uTIXGOf9N9eHHrJMmfG3fYlX_gALm8klNHg,7971960
gpu4pyscf/lib/__init__.py,sha256=a4T-rm1XQgEiyyXqzBNNOSRWZ3A618KgBgIKdrNI7CM,845
gpu4pyscf/lib/libgvhf.so,sha256=PAThOM1OYYx_UZSwMNs3PIKS_hvHDR_0qgGLFWNmwzs,5277144
gpu4pyscf/lib/logger.py,sha256=KbMblOFUDQUYIyAWKmj0TLSs8aLsmSYqTgbM6CrphnQ,5048
gpu4pyscf/lib/multi_gpu.py,sha256=kq5B2nZ7jnmg8f5MSTrG2nlkKbUHKB5O5j4XCZFo2ms,7324
gpu4pyscf/grad/rhf.py,sha256=SS7qchyOCs4h_jLFAjAqH_Z-sLy0ldm0CLdl7wIxs7A,19525
gpu4pyscf/grad/tduks.py,sha256=QkM9ZgvqqH3dBL4YixRKKfQM9ELRZuKkp149uC-trJc,21023
gpu4pyscf/grad/tdrks_ris.py,sha256=EsCb7Q3UtTixZ8dn9cOnv5vwS6SYjKGyxPes3F2jz8c,19081
gpu4pyscf/grad/tduhf.py,sha256=pmJ4pAMSFysRKuQ1LWosL9IJJycXW3nSuTJuIkC-LAA,13176
gpu4pyscf/grad/uhf.py,sha256=YzcX_8aHjovy7dcsrHhOmV-3N7U82uPKoSvQ4k7bdFw,4137
gpu4pyscf/grad/tduks_sf.py,sha256=B1zUcn42kA_11CPzlFx7bRuBcQr92SDCu6otCSeWSZI,31516
gpu4pyscf/grad/rks.py,sha256=UjUAkKymLdzbXfny401S8mUSlz3FAARspQFtG3zfDgg,28643
gpu4pyscf/grad/uks.py,sha256=6AJG8VqfTL43WRBLZ7EyOymJIDJNBm9wFPD3wqytI5E,16525
gpu4pyscf/grad/rkspu.py,sha256=JLkKcwpL9ptPRoFW-9o7CwI_NpLs1TT0f9OPDQ-7PgA,4683
gpu4pyscf/grad/ukspu.py,sha256=9XIb2ZrQmwT3gVAfZCqQbhMePYsDujKGeebAglrKce8,2798
gpu4pyscf/grad/ucdft.py,sha256=v3Dv1piEwydIw8zbYccd3981kiRWyJAXxTx8_iIVFUk,4676
gpu4pyscf/grad/dispersion.py,sha256=vr8GjoSsMt9bUzn4cJhuarr06TNaX4plYdMQmarKQHU,2223
gpu4pyscf/grad/tdrhf.py,sha256=J-5wrpK9OdI_O7uYtqsr_G1NVj2B8aT0LHoUC3y7mdA,26271
gpu4pyscf/grad/tdrks.py,sha256=P_zOHykSb0XE9eK68_FHjYptFZ-jyN_kVE8OqL79mjg,23336
gpu4pyscf/grad/__init__.py,sha256=yWh4mrdDhCDK2X-VWgIfUZTEDZ2j_VgrGsed1Dcmmm8,303
gpu4pyscf/dispersion/gcp.py,sha256=FOD3lHQKENM4l9LEBiXuS24cCb0mn66jbUcfLIHeD9c,740
gpu4pyscf/dispersion/dftd3.py,sha256=1h5icAN9gDnyMXzvcerMu63MHnNyYaB_XH7hkke6kKk,742
gpu4pyscf/dispersion/__init__.py,sha256=A86oMQFWAMfHYtelNmx-8HaGGl_Wzd4zDLGNZMDzvzs,41
gpu4pyscf/dispersion/dftd4.py,sha256=pKfrrSgI1hZStcBefYjL-JxD83LSNuR9Nwx4SF7NGUo,1409
gpu4pyscf/pbc/__init__.py,sha256=CpEoms2yOZkSR8mKdJbiUTv_iws4QnEC6OqilcAZdDA,672
gpu4pyscf/pbc/tools/k2gamma.py,sha256=B-HxDBkHlZrMKOwTWojKh6mP0O36UzPeakBRYW8Uydc,2637
gpu4pyscf/pbc/tools/pbc.py,sha256=6yCr22WrsFLqXtZmxZrCKItcUkmFPM7crsrDLFZo56s,11877
gpu4pyscf/pbc/tools/__init__.py,sha256=i2VjY_aqwMYT4B9OrZLoTApbZ7Pu5AsMCTbNEE69HQQ,631
gpu4pyscf/pbc/scf/j_engine.py,sha256=nSyRxiyGlI2JlR7ujMzbb_rvWoQ4xpHdbDVlZkQV9ms,24183
gpu4pyscf/pbc/scf/kuhf.py,sha256=GatZSiyuox16Xo9wRVxDKLhpCr21IOJNewJHr-dMAbc,15184
gpu4pyscf/pbc/scf/hf.py,sha256=bwKd4cBxFGXZNChUfrfgCdzVOlE4LSOJ9vPKoGBq6zo,15661
gpu4pyscf/pbc/scf/smearing.py,sha256=zv6hgLcK0Boh1W_Y376gUHlvj6GJbD3w9OAJps4gxmg,7837
gpu4pyscf/pbc/scf/uhf.py,sha256=DKxyLEUIPKu7UWPOmPc9mYmlgt0i0tjtJCKsslF5tRE,6740
gpu4pyscf/pbc/scf/khf.py,sha256=VyL2bu4IvN6f8NqAAOCjwEVC2O-AZ01T0Sb5v0GlENg,25548
gpu4pyscf/pbc/scf/__init__.py,sha256=MvrFjWadntQ1u6fERuGHQTARGPJ_GNEPXzlV0p30d9E,1287
gpu4pyscf/pbc/scf/rsjk.py,sha256=esz4p6vsl20hyhMhwtxLWvWo_cOp_ADeS4hwf3GC-Zk,56231
gpu4pyscf/pbc/lib/kpts_helper.py,sha256=Y9OmZZk8GupEUPSOaNZECZ77bZH9EP2E4lN8uTkRdqI,4973
gpu4pyscf/pbc/lib/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/pbc/grad/rhf.py,sha256=70bWvad3zTpHyaGJkbhOLz2yWxTIWvjqetnJn5EBAUg,12963
gpu4pyscf/pbc/grad/kuhf.py,sha256=hGA7jq14-PqFLoXxkCl57vDPBFPxKDwukHGVZvtOe7c,5703
gpu4pyscf/pbc/grad/uhf_stress.py,sha256=oFDf5sM7krAuIidbd_bbHsCT3jHqJ-YsbNN8mj8ZCMA,2285
gpu4pyscf/pbc/grad/kuks_stress.py,sha256=ZQn9AyFpaOg-_sx1K0Zfs9NdAJeAe_D_vshDWRpyMNU,14651
gpu4pyscf/pbc/grad/krhf_stress.py,sha256=tcsjCzv9ZCFRBAIttATUsCLdEZR3mN0CeUvbCAMHkUU,6808
gpu4pyscf/pbc/grad/uks_stress.py,sha256=2MtYzthrKUmHzs6UhtIO-GmUlk-93ixRMM337eGiZNU,11593
gpu4pyscf/pbc/grad/krhf.py,sha256=6YvucIDU404CCPFUWstpFrQvkidELgUN8zTUFMMgSGE,12187
gpu4pyscf/pbc/grad/rhf_stress.py,sha256=6GlJoe4OSdj9XmD9G2p-OgGS1ly5_w9pnFEwEDIT0Bk,3255
gpu4pyscf/pbc/grad/krkspu.py,sha256=AngPRwOgfD4VYPJQ4Ub-ESsY38LdQ8K352EU1SvwoLE,5237
gpu4pyscf/pbc/grad/kukspu.py,sha256=7lf7nyEg-KOXwU4Bhri5MJBkb3JgfmrN8NADBQMuFQw,3222
gpu4pyscf/pbc/grad/krks_stress.py,sha256=WivPSU_hCgrS4eoWyErc9vun5Tl7X8Kb1WhtmVw056A,16429
gpu4pyscf/pbc/grad/kuks.py,sha256=xHzrSkaJ-99IYOqJUcfPU4mWZLXG-_68UlW-5CN8mcQ,6091
gpu4pyscf/pbc/grad/kucdft.py,sha256=DGmmPnGqhDxS6E_eUGiJ5M07aQcQ9rOsgAt9YHQ0Ns0,5289
gpu4pyscf/pbc/grad/kuhf_stress.py,sha256=kRX9lvAdW6jZXt_REfM2hkrcv4nzQ19mYwUHEgmVkY0,2389
gpu4pyscf/pbc/grad/krks.py,sha256=uStP85fokj05YrTpWoh-esQSI5nY1YZjMAeXdJM3U2s,5957
gpu4pyscf/pbc/grad/uhf.py,sha256=C36M72lrZusmVqcXxE9ycI38rebh7ZgulqNDO_gP0Ss,8308
gpu4pyscf/pbc/grad/rks_stress.py,sha256=4_VvTqCbuSLYiA9Yyz1LR5_01ADOcqCsqumWBp0E9hk,19517
gpu4pyscf/pbc/grad/rks.py,sha256=_TwNLZ0JjCsAT43rKpbp9AwjXfFazUAhbC6OVpRej5Y,855
gpu4pyscf/pbc/grad/uks.py,sha256=MPfSjmeoKDzueyQwSu2R_gGUkakBWs0vu4313HHDz2A,855
gpu4pyscf/pbc/grad/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/pbc/grad/pp.py,sha256=YqpDKoTTmdAxqIdyh4hX2Z765a3Ns2rn4gQ00M6RY_s,3760
gpu4pyscf/pbc/df/aft_jk.py,sha256=hkX4moM1jx3e9R7L7DVuEkSJBfmIM9zwomlgNjTX1nE,37412
gpu4pyscf/pbc/df/aft.py,sha256=LrxftTvAWRfCTkNKLi1MtlEKqcwJWBIDC1IncGnJKEE,10625
gpu4pyscf/pbc/df/int2c2e.py,sha256=9qo7MfoWR8WM2GoZsPWYMX8KHpEq-J3XvflGw_XEI9w,12569
gpu4pyscf/pbc/df/df.py,sha256=CgSejuyT9yX1kYWSY9I7OXkgD1JNLvdbzu-hmDFaVdE,12153
gpu4pyscf/pbc/df/fft_jk.py,sha256=PceiGHc0OTRRvxiGPLoPG8p96ziwaEyO9QIb-WCa7Gw,14278
gpu4pyscf/pbc/df/ft_ao.py,sha256=MAqghJxErn_Ho1zwIVPPOLNAKMcjymkDioe7wpVLcW0,24296
gpu4pyscf/pbc/df/df_jk_real.py,sha256=Ajuihiv1WEWkwZwjVxqggLXZXSy1k_cfX3rSr5A1y98,5377
gpu4pyscf/pbc/df/int3c2e.py,sha256=KAmLvA0bFFbpDjJlGG8aL5d25nTR5VZpMrJDvyDaTKg,32987
gpu4pyscf/pbc/df/fft.py,sha256=KRe4RzW-01XvLzenKsKmn1q_NlQNDezfzQsG9u1N3Zw,11089
gpu4pyscf/pbc/df/rsdf_builder.py,sha256=fjifDqEyYDST1bHkGA83ln8NUnO4qBfq3AY_LCzTegU,37853
gpu4pyscf/pbc/df/df_jk.py,sha256=_7H0fHyMOXmJHH2FyDp3ctWlwQ8UfoRKnNCLp6eMPAk,12155
gpu4pyscf/pbc/df/__init__.py,sha256=Fx7Ey-WzreFn30nDKKen9XV0s9kPKIUXOp-_nnzlfzk,731
gpu4pyscf/pbc/gto/int1e.py,sha256=XCcsk6QpkjAIgIWb-C97UtU6nGHqRk6W7cfROfaSbFU,16187
gpu4pyscf/pbc/gto/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/pbc/dft/multigrid_v2.py,sha256=5RoPSzUP3uecLh2b9IhBwU-0h6EgIJX5rI806muRxYI,57963
gpu4pyscf/pbc/dft/gen_grid.py,sha256=PZrw2K4GQAQJzO5yH3sWkAwVmhg1zCBKAI98Aui7mjA,12630
gpu4pyscf/pbc/dft/krkspu.py,sha256=XZmb5Wm9ZzWQYvEZ5JIQoADdfVsoz0oX6MfIifE_Jw0,12019
gpu4pyscf/pbc/dft/kukspu.py,sha256=yEc6KGK5oOZRXd1CYRTkbrALTBNoHpzB78hJdGjgAa4,10847
gpu4pyscf/pbc/dft/kuks.py,sha256=y7KkooWUDdm_4rDgGgvnl-Ax1zjHuxq13Emk1JbjaTI,5211
gpu4pyscf/pbc/dft/kucdft.py,sha256=n1xAd9V6x8HUEphU9cDc-DE9eJYuYbi7wW5oWk2bKtc,9819
gpu4pyscf/pbc/dft/krks.py,sha256=dQztzol1a--5Ywi2zZxb6qWxzEnfHE0bnlo_WaM7Bws,8187
gpu4pyscf/pbc/dft/rks.py,sha256=E56L4WA6tMFGJPS0neN8U23G1Al14y9sgiu5avWyF-4,13392
gpu4pyscf/pbc/dft/uks.py,sha256=hUiPUzY3ALL8xp0UTntxUt6lsFrJWT8wUFkwe2VQwvo,4959
gpu4pyscf/pbc/dft/multigrid.py,sha256=j7un5UVf1Np0fwdi-hBtMUKO6Gsm0ziE0NpMqijwUdA,59010
gpu4pyscf/pbc/dft/numint.py,sha256=ZjdK8va5jjYsujOslzBe_ww5GE3DOMDmyY5D76JsXrw,23522
gpu4pyscf/pbc/dft/__init__.py,sha256=UNoYusykxkK7dryhq5UxVfnJxIU_DltGnwrjkveOQBQ,1434
gpu4pyscf/df/cderi.py,sha256=Fs8UczNOw-CD8sWVVIfMk3xNeYSa_gYVOafRwxt9XlI,2515
gpu4pyscf/df/df.py,sha256=tQ3np19D9V66NONHFlUuKAGznBZFwAbvc1nVbwI0emk,15809
gpu4pyscf/df/j_engine_3c2e.py,sha256=tW9l68NfKj7HK3riUICgr4dk6yv_MaCpgR0omEUGWJQ,9738
gpu4pyscf/df/int3c2e.py,sha256=dNP8AQtne9kKSlHYEKBrLPpNVB0BwY5v0b7a2cYXm84,66204
gpu4pyscf/df/int3c2e_bdiv.py,sha256=MIKsPhmy1ZgbjLNBJGbPKHn5vQ5Ud4XZ2ml3tIA9FM4,24439
gpu4pyscf/df/df_jk.py,sha256=cjytmOmDsLzv44AWFN61zyouNYxD9XBQ2v9h04J4_fg,31489
gpu4pyscf/df/__init__.py,sha256=ebR1LbeB3wmNtcCHSAC93gUH8FRpKYEoJjhPxX9EALo,719
gpu4pyscf/df/nac/tdrks_ris.py,sha256=ErxD6ChMPXc09KdLTG-pV37PLtoZNLhFr55RBN_JnL4,1094
gpu4pyscf/df/nac/tdrks_ris_grad_nacv.py,sha256=fgRZO4Fh2runSc2QGtx3FzXUKqzTlNzS8R9wpEe_sZY,1065
gpu4pyscf/df/nac/tdrks_grad_nacv.py,sha256=LZlP-5-1be5w1EKz04Ql2eQrNh8oT_3rKJIOvBANP_E,1064
gpu4pyscf/df/nac/tdrhf_grad_nacv.py,sha256=_hYfXq7QyPxQ8GfOQA9c8htcYo389GXmcCeaMJFTxlA,1064
gpu4pyscf/df/nac/tdrhf.py,sha256=9_y0B073zlOB-xr5h1X3m5eM3zg29Bx0DOtqtG4kPRc,1059
gpu4pyscf/df/nac/tdrks.py,sha256=P-EGT9NniUz2cuyfUt1HqqqRiRjAPFXkutEnnCczLIo,1058
gpu4pyscf/df/nac/__init__.py,sha256=oO0FUFPuuqSo5FCEDWJsycjt5OBhMdd6tRIeydhtiX8,649
gpu4pyscf/df/hessian/rhf.py,sha256=pSbE23ukcwcqtbqcMcNLW4QkGmy_lybE3Ujis7HbjX8,28018
gpu4pyscf/df/hessian/jk.py,sha256=q05AEOz8lf9X44zQTwlZV-_jxAC_neQi4nBOhsqI9AM,17438
gpu4pyscf/df/hessian/uhf.py,sha256=8UOU2g8XUgJECE3dfzw2UMNs_MyFaHbNHW7ceouUa4s,32274
gpu4pyscf/df/hessian/rks.py,sha256=KziHnX8uslJDRWm0rp8IWJakY9xcpSndmO24p3S607c,4238
gpu4pyscf/df/hessian/uks.py,sha256=x-jzAFoQ44dUCOVxDYUn-UGRspPBlErFbG2fPz8-VXg,4751
gpu4pyscf/df/hessian/__init__.py,sha256=Uxczc-1eVHwr6rXPd1aSnwvIT3JBUFThVDXFKdj-OB0,718
gpu4pyscf/df/grad/rhf.py,sha256=QG8jcwPs1LWPZ5CZ_3-Jv_rABMGF_T2ujI7sTPYppIo,15597
gpu4pyscf/df/grad/tduks.py,sha256=bmhZ9w56UgD7wMmxOzWdB0R0IvfZPcjTO_qtJMJqpPk,1138
gpu4pyscf/df/grad/tdrks_ris.py,sha256=s4EC6YS2_x2FYHmlL1_pNcB-xpHA5N-L9P6dTt5vwbM,1276
gpu4pyscf/df/grad/tduhf.py,sha256=LVJRY88LpzgnhDSvXOqAETvsYjXpkAG8O5nWhO9RC-E,2065
gpu4pyscf/df/grad/uhf.py,sha256=Sl9399p6YiIz95oo_NoFNNBTBMtdz51O-OqDgjRhW6o,10074
gpu4pyscf/df/grad/rks.py,sha256=YGsMC-eaRb9j-rz2T-Q9a9A05KZcmNufWYzYITwbUbY,2716
gpu4pyscf/df/grad/uks.py,sha256=deg_hfmzHx8x3r3Nj8_ZoWGfIvjpSMmjM5ETs6yHsRg,2552
gpu4pyscf/df/grad/ucdft.py,sha256=Mgd3ABmLjLAbyWLR9PjO2505baV1cuo8d5S67ciNJYY,1485
gpu4pyscf/df/grad/tdrhf.py,sha256=FG8WF6NysaK73Ss9xZzh38Gd8a6vU-hl01paxsX7xxo,34221
gpu4pyscf/df/grad/tdrks.py,sha256=yedSHhsqHXX0oxKEUQTQ7d5HDsI7o-YCT-PHSysP5RQ,1278
gpu4pyscf/df/grad/__init__.py,sha256=nbzynCeAcb4X1miBdKAHrAVnZKo9kc99V_znWNT2HaQ,849
gpu4pyscf/solvent/_attach_solvent.py,sha256=duYgxYkqXBiPWL5ZoLvpCGTM9VvN95lnsaVFA0j_RBI,8171
gpu4pyscf/solvent/smd.py,sha256=ISG1GbZUoDyychcVkgKgCJgVQ2fGyyBB53CDFsQVrBs,24822
gpu4pyscf/solvent/pcm.py,sha256=sIDvmzlAyU6S9sMxrhWyTRJi85E2xk5x4q6j-aHkj_0,31658
gpu4pyscf/solvent/__init__.py,sha256=fTpqYkfcFPQUcgO0g4ZnX5NfGWHIVcvl4cOGoVQjMZ8,1853
gpu4pyscf/solvent/smd_experiment.py,sha256=FqwxsBYR841FXEGcnY23hR2-zyivIHGZc3ENf6h2lI0,9003
gpu4pyscf/solvent/hessian/smd.py,sha256=QSTB1bRK7iHuIUT0b7dfKmFEvX2WdwuMP-nWn6KQneE,4820
gpu4pyscf/solvent/hessian/pcm.py,sha256=DyNCykV8D4w3_N_e2tfZrFw_RCxR4V3oiz2BlqEzBSA,52218
gpu4pyscf/solvent/hessian/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
gpu4pyscf/solvent/hessian/smd_experiment.py,sha256=pP10s0mq5YEtO6Sg4kPP3o8Fv17m_4IvxcQsQLuY6Q0,8401
gpu4pyscf/solvent/tdscf/pcm.py,sha256=NHkYVblQx1ZbhbzGOFfVCnoNQCtp8KsTsRo36JBCdak,13696
gpu4pyscf/solvent/tdscf/__init__.py,sha256=b7UC6sJuiw12rfVmU1pKNhBhAV6oU3r1QQwbk0qIDWU,611
gpu4pyscf/solvent/grad/smd.py,sha256=LedGvJp8FeQp5Kc2XHkbywswVQrIxtCCTBDw8K8Z1Io,4159
gpu4pyscf/solvent/grad/pcm.py,sha256=Svb71WBnRu-NioC_v5iEvwmHCIavxYRLmxwASa-jg2I,34298
gpu4pyscf/solvent/grad/__init__.py,sha256=O9Phl5qXau2l_b2EYID5FYueEpeiRcbbO_zdLcJN4aQ,611
gpu4pyscf/solvent/grad/smd_experiment.py,sha256=tNarpj5hjvV8FtgqsekDT4WI9uHS-8B0K9CF0hRMSqA,9063
gpu4pyscf/gto/int3c1e_ip.py,sha256=mkxhlCLygj7ZsjnO6lDXwT2qxWT_6fNjJXJ0hWyWHWM,26053
gpu4pyscf/gto/mole.py,sha256=X3TdjWBxDwnQ2nr5q2BSv9IAigy0NK8VRtOjtJdHUgU,51824
gpu4pyscf/gto/ecp.py,sha256=24ff8B109YteCLSYsI75kR2_oXY9JvwccSe0LdzjFfY,10878
gpu4pyscf/gto/int3c1e.py,sha256=IZ2PK-4gZe2SJu59VD3bOwV5kTZ_pOQB_sniAoQdvrI,23849
gpu4pyscf/gto/int3c1e_ipip.py,sha256=GxhSpPMc2lKxTafzOOF3EdHPHaocLjKf2X2FIWBXlkU,18542
gpu4pyscf/gto/__init__.py,sha256=O9Phl5qXau2l_b2EYID5FYueEpeiRcbbO_zdLcJN4aQ,611
gpu4pyscf/qmmm/external_field.py,sha256=DoO2q3IyiTrUOb23cWcEyfZuoosUrQbmnZThmvHqLE4,6447
gpu4pyscf/qmmm/chelpg.py,sha256=WDCM86x0R_NRupk2TbJhHnI69f5Ie_90xC1Q5tosrc8,4946
gpu4pyscf/qmmm/itrf.py,sha256=08nwtD1ZnqDjIe7NIaL6ON2hUJgZBGFUn2Iefo7vwg8,8780
gpu4pyscf/qmmm/__init__.py,sha256=ME7jouglCLn2M5WzDU8NuQpsJVdpmjiMId5vQSg3PoU,696
gpu4pyscf/qmmm/pbc/mm_mole.py,sha256=nS13ZLYylJFUBPtJtItuH1-LKmtC54_UvGysm2skJU4,18265
gpu4pyscf/qmmm/pbc/tools.py,sha256=b1YEVc6HCyX41raqErMQN__B-4yPqSFigCANT1AS66M,12127
gpu4pyscf/qmmm/pbc/itrf.py,sha256=1VlrPOpNK_6OpGWr2-Wc_2c8YkkD11FV2vudGwxpGVo,52569
gpu4pyscf/qmmm/pbc/__init__.py,sha256=QT6DKO9bMM5BcDO6keUyPLn-zZWbiMehZddGA8BsYBQ,664
gpu4pyscf/dft/numint2c.py,sha256=f9xtBnoW2znLfAAGIFOwpOP_quIh1hh5aUkovnbR-BA,25453
gpu4pyscf/dft/gen_grid.py,sha256=ZMkoLgysJME0MHCbe4858tLmmQtXhNTiDUjW8pYFZVI,27449
gpu4pyscf/dft/xc_deriv.py,sha256=dIWsKkhLGqx-KTksqHCnsbJ5cH8jh4qNJohB28PQJzE,13054
gpu4pyscf/dft/rks_lowmem.py,sha256=QDttN5pA6-kAQhG-7J_YnPbL1V1zpSFSfXVnYhClWtI,8653
gpu4pyscf/dft/mcfun_gpu.py,sha256=acZgaK7FeB98lHlT2wHtImzQO4d8u8rp3IsusbLT29U,14471
gpu4pyscf/dft/cdft_soscf.py,sha256=0FAkjvmqnirjqrD5WywANHUiNGjK1S2B47E1g81_pik,4577
gpu4pyscf/dft/xc_alias.py,sha256=wHmbAkL43V_FFOiwgQjNGjMtcPun6bA4mPzKQsdYE6Q,1064
gpu4pyscf/dft/roks.py,sha256=g1CNF-wpSjwJlQjyYbaewOQ83fTk1f9fzlEImFf1KGI,1954
gpu4pyscf/dft/gks.py,sha256=uiFfs4CxY19bQqiLSfksvEKS4kYe4-0elZooba-5Kdk,6015
gpu4pyscf/dft/libxc_structs.py,sha256=35ptnsgYEhSoNZJ9Dv_SCd5-Qq3ktBOO_g9XKmeA-LA,10197
gpu4pyscf/dft/rks.py,sha256=8hmJO3QP_4_4YyeQ5DIRRVNZZ41fZyO9oGhXhNVXr5c,10415
gpu4pyscf/dft/cdft_soscf_full.py,sha256=K3KQb0hnD-uW3Xc86iQ1AI7Qb-FuekyIEDIfA7RxbZE,12783
gpu4pyscf/dft/radi.py,sha256=eIBHXu-DNaWPkKvnt3UgAXH2iJWb5jpPVaRNIOZn1No,3241
gpu4pyscf/dft/uks.py,sha256=F0eqO2jki89leyKNOMHlUzrxvbwZzqfRNv5a9Ew8qxM,4571
gpu4pyscf/dft/rkspu.py,sha256=ZaN-SwCW7yzWCEVtIU5hFEdV-rDGsTEpS5MMFxQWdxE,12482
gpu4pyscf/dft/ukspu.py,sha256=i6iz42Z8PySISYCyWcWOPN4fK_kj_aNdiWbX3ZwLXgs,8993
gpu4pyscf/dft/ucdft.py,sha256=ZHVE4YtRLj7UpAwgbq2OZ0KaBvEymXHPlac-8uvASMw,21482
gpu4pyscf/dft/numint.py,sha256=eELP-9UvfS_OvhQY3fooTh_0rTFP_CVQogWFnJ9tWr0,98359
gpu4pyscf/dft/__init__.py,sha256=YGajk_8Lz-pXm5sSyo5LuMlCGQQ1uRp42qnt5qGr9eY,414
gpu4pyscf/dft/libxc.py,sha256=Twkc5NAEA83_JJ_BWQohVOOdDuhKqzKlWjx7fILGfFk,13028
