Path |
Digest |
Size |
tad_mctc/__init__.py |
sha256=UGN4v0xTalJG1_nbjAKhueFsm6YplQ4QvXgkMcPCg8Y
|
4375 |
tad_mctc/_version.py |
sha256=yBeYNl9F53o3xoJM4C595LVoVGLqbHyW7Wj_nmpUVL4
|
1698 |
tad_mctc/py.typed |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
tad_mctc/autograd/__init__.py |
sha256=vgMaJoZyTSt4tjcjJl5kmO7ny1kO89Mz8EsqT4hMllk
|
921 |
tad_mctc/autograd/batched.py |
sha256=T7ef7pZd0IFQ5P3Nz8nI7yr5MAOHJobqannvbEMjad4
|
1455 |
tad_mctc/autograd/compat.py |
sha256=GIHekBCSvgGU-lPsukiwRlFQqSYN_zn-QdHndPJ2s1w
|
4514 |
tad_mctc/autograd/gradcheck.py |
sha256=7wKtnkWu09UsWQnF9ci5D0K7H41pNjeD77nPsa4rEHU
|
4206 |
tad_mctc/autograd/hessian.py |
sha256=6OhbwdSYx8_7d6iCSR7uQTrKA7ipS-yrqhCTgKCJ2ng
|
2691 |
tad_mctc/autograd/internals.py |
sha256=TuPXg7-9WsW_Y1MS4kgvCvkScSqdNI2OlegAvwbvj7g
|
2087 |
tad_mctc/autograd/nonfunctorch.py |
sha256=p2Ox1yhFpd7KjNdQh3_UwmZZeK8K_PJoFFQOy42j4ZY
|
2590 |
tad_mctc/batch/__init__.py |
sha256=BSgpZPVdM3IRCsS1CxAQv9haKvs8HBPTLlFylP1XQ04
|
869 |
tad_mctc/batch/agnostic.py |
sha256=G_iKRr8oeQC_gsKpUWeaJfB-VVQzt1CBKYS_nAF79MA
|
1929 |
tad_mctc/batch/merging.py |
sha256=vrbCcF18F0UUrkto7KD1Vqc_nZTUrLqfOUH4HeEZ0b4
|
2827 |
tad_mctc/batch/packing.py |
sha256=e9DGEXQwh8H_olYfjFSpBleQO5ateCXuDvzNVSo5tQw
|
5798 |
tad_mctc/batch/sorting.py |
sha256=VEIrhyTXblgJDLuUs4zlJWKJfzG417R0S6HahJ3rcGY
|
3950 |
tad_mctc/batch/unpacking.py |
sha256=VXEhvCa26F4_6LTZMwglg47r6PTBY6l-ZlimWMpzLCI
|
5924 |
tad_mctc/batch/mask/__init__.py |
sha256=2TCD-CtNcDvUFnN2E3hAIWcBAn6GGpHXjHphbLUs7dU
|
923 |
tad_mctc/batch/mask/atoms.py |
sha256=oj7CnMz_h0r7Wi7qZoPl4iiDqLtr7Fa5eezOcghx7fk
|
1291 |
tad_mctc/batch/mask/jit.py |
sha256=RaiKrl0e3QuR6OOyfpGJ-4vsXFZxeo-iun1Wkiw9RTE
|
2861 |
tad_mctc/batch/mask/pairs.py |
sha256=8Tl9POEgeBdXNgOiUu7wuvvcNNwM-lCbHMYAbFLX9Xw
|
2667 |
tad_mctc/batch/mask/triples.py |
sha256=GoIn6oa_tYOlf3JeFRhaTW84G8lWqW-h0Lw8L_B_yzM
|
2103 |
tad_mctc/convert/__init__.py |
sha256=7eoDy5_JSbPKIiQd3CF_osogZipc1jq3VFvBK-HBxn8
|
903 |
tad_mctc/convert/numpy.py |
sha256=q0IdDp09U7xxDKsdt4Z4OQiOVaLdgswFtPZXC4GC_kQ
|
4019 |
tad_mctc/convert/pse.py |
sha256=2huwhdf-FhI4KKcxNFvEhl9jtFX6MnUhlYTIVC28mi0
|
1692 |
tad_mctc/convert/pytorch.py |
sha256=GC0Jd7qhGhEwwV7HpobOF9lIdpZDDeEMOwv1_hCweFk
|
4656 |
tad_mctc/convert/tensor.py |
sha256=PBKHr_RrkzWMdLS1YqpvnI1GvRTnDaz6bJJ6nKdvj4o
|
2733 |
tad_mctc/data/__init__.py |
sha256=v69UCIzNmh0FkQbxK6fM8QiI3u8PJPQ6Gfid-EkOZKs
|
1041 |
tad_mctc/data/en.py |
sha256=mW8HtUzQzsacOQSM5Vt2rouz5o7G_dGRWZ-IpGmyUZg
|
1890 |
tad_mctc/data/getters.py |
sha256=Hc9OM7xJ6gB_Rh1U-Dp9u8TpUlsipbZUgPYj32w4l2I
|
3516 |
tad_mctc/data/mass.py |
sha256=XfdQrtNNmMPJPRbDkkpoFOzDimvpqDMFS8nudFP7UTA
|
2421 |
tad_mctc/data/molecules.py |
sha256=Q9TIjw677QLey7nxfcn_Me_beFjqICn8SZwRwI6UZ-o
|
69601 |
tad_mctc/data/pse.py |
sha256=kDIiULHl12RBZ7WmDYT1XANQH3Ju_DAWqo_z1DtRx5k
|
4440 |
tad_mctc/data/radii.py |
sha256=MQEgcvv71DB6xvuIkPPku26sNEn9I6L3BxVRvaWSbv8
|
4312 |
tad_mctc/data/zeff.py |
sha256=CqCtvnvUuHJV3a0axO_WWSvFVPE5DatbCrtM5Eu_atY
|
3607 |
tad_mctc/exceptions/__init__.py |
sha256=Z3iHDv8LBSskPsn-Lrrq7A7VwqMcDsH6ttvI7BJbFoc
|
803 |
tad_mctc/exceptions/io.py |
sha256=ze1t0gftZRmaNUZalZFERk01sqo49D6_GTBcnTGWLPU
|
1266 |
tad_mctc/exceptions/molecule.py |
sha256=vp48fUguKHf_zoUfOD84Ljp35LSxmr0M2wIm0_X6x3U
|
994 |
tad_mctc/exceptions/pytorch.py |
sha256=pfCvNjT0Mw_t2AHWo2M_PFtMjgN-QWshZIUAbG6eu64
|
944 |
tad_mctc/io/__init__.py |
sha256=hHxPk5hw1B9QK6i-8wevWNz6-cOa5I-bjAhaUC7Um9I
|
750 |
tad_mctc/io/checks/__init__.py |
sha256=4eeWsbANuB8DXrxBMmTqlXS9qy6To-UJCbY-Xn_0cjo
|
782 |
tad_mctc/io/checks/molecule.py |
sha256=vj4Qp46a9QacqMmrDKsXaCqNuU1Ypv7jPb4DOrSdvE8
|
8272 |
tad_mctc/io/checks/shape.py |
sha256=Z9mSTPMzc7SnEVvLT0XjfBUrlSHMbAhdkJfTWLS1tgU
|
2384 |
tad_mctc/io/read/__init__.py |
sha256=o3GtyxEscPJL54dD9SHqRUMAQ22rOZT40DXIAmJLNw8
|
1144 |
tad_mctc/io/read/dotfiles.py |
sha256=d8R30AgQZmsqHWPS42V8Yzm5W2Q9TMJNNHdweGHsHJ8
|
4053 |
tad_mctc/io/read/frompath.py |
sha256=dW3dhoCTm_ZtZraOoPNW3vn3u5FlnogBeOM6ckrXXhQ
|
6795 |
tad_mctc/io/read/orca.py |
sha256=A4wW3T0Vb7Lad7lqtygz9nJZ1JrCXxg20SPUPXtCaxs
|
2852 |
tad_mctc/io/read/qcschema.py |
sha256=ciP1pec7iIHPQ3lQ6vac7GIQIzJSQzSQws7OmNUEBe4
|
3295 |
tad_mctc/io/read/reader.py |
sha256=cYEOWRV3DXks88Fr9pw2oAdTiIviUPh-gJc0Hz9lSf8
|
5482 |
tad_mctc/io/read/tblite.py |
sha256=KHOeVSizCOzgnuSJdvVxyRBC0DqpGKFxRjlWiCYOIJI
|
2434 |
tad_mctc/io/read/turbomole.py |
sha256=aYC8sca5Gpa65WZY4q_IJrBiekBg1Ys6GRb4hFc8cP4
|
5511 |
tad_mctc/io/read/xyz.py |
sha256=Xhx_7NFF-KqmpMCYCNVQls5sh7x7WYmknk8bv6m9II0
|
6090 |
tad_mctc/io/write/__init__.py |
sha256=KDJ40BUn__uTwIAZLyFWOFXcIELmRHJ_-LaespaRbnQ
|
770 |
tad_mctc/io/write/turbomole.py |
sha256=izSVkn2KzIHIWnYdUqALi62GHSIXHegrVL5g5GN0eKY
|
2240 |
tad_mctc/io/write/writer.py |
sha256=ndEKqpV59JUDpvEnfLGeYTHIZQsKxWS0Zll-SJ8YI3k
|
2817 |
tad_mctc/io/write/xyz.py |
sha256=Qhhgdd8M7lJRreHHS1Ig8-OHFwPEI7JUt4NhHOX6EMY
|
3523 |
tad_mctc/math/__init__.py |
sha256=ehZQRme_eVUU4XSMvIKQVnx4V899oBAEoyK2RGQnYsI
|
746 |
tad_mctc/math/einsum.py |
sha256=forijg3BtBrejEguGOhQl-gRcKNqSmyW9J5LrOJiOQQ
|
2305 |
tad_mctc/molecule/__init__.py |
sha256=nYsoOQA-pQDhwtatuQzBwSqa1eXgW51pE8Fe6y6r2vI
|
838 |
tad_mctc/molecule/bond.py |
sha256=FnZJPKN6AQCV-Mndq83En9bR3RM3QoI0CKuXg4ocd40
|
13298 |
tad_mctc/molecule/container.py |
sha256=R38fzpoGjDpGg5YMbb41PqIW8VytGWf655VUcb5jSOk
|
9082 |
tad_mctc/molecule/geometry.py |
sha256=Sa1ysvYcO3OEQbgm3LleIpEOtGdZggEMsHeWL1hcU9A
|
4022 |
tad_mctc/molecule/property.py |
sha256=aoX4w-XfEh4kKO7RDsZXIuB5jy3y3VQrr2Lg_8STVmw
|
4578 |
tad_mctc/ncoord/__init__.py |
sha256=ZUmEfBEBdcViSik27pQgjqMOITnMmdSU4m6eUanQVAw
|
2871 |
tad_mctc/ncoord/count.py |
sha256=L374y-bW2ptZ9EZQ61Jqdc-zwQkkyFTdCIdZUPnZWpI
|
6321 |
tad_mctc/ncoord/d3.py |
sha256=7nfW6yg3vhajPyFIWBKZkgEyFZrRvUk-iN7UxB_wyTs
|
6076 |
tad_mctc/ncoord/d4.py |
sha256=ylRu0n01_VlXR4kattFiGlz9z84qZ5T3Ry3k5ygYfgk
|
3791 |
tad_mctc/ncoord/defaults.py |
sha256=nPHbaYIMSFPguc_gqvpwB_NtM7O37S8ywHC1KCzJZtY
|
1845 |
tad_mctc/ncoord/eeq.py |
sha256=jsZ_p0dh719GD8pSG2-zL2IBWVVxkJntgjF7psezZmg
|
4483 |
tad_mctc/ncoord/typing.py |
sha256=zSbgOG8k4btTSOCaYTViD30iwiNriTOGlZ8uiRFj8-8
|
1999 |
tad_mctc/storch/__init__.py |
sha256=FVWwPqZHlkcqQoOTxv7UoK3LIxj6v-rwTJYPbF-ZczE
|
1113 |
tad_mctc/storch/distance.py |
sha256=UWCuy0nPhxOs7ngiJKZOFfqI3MSVU5gnfpSi7qOIUnU
|
4532 |
tad_mctc/storch/elemental.py |
sha256=5MCi-1AuZ4Ig0rKLhjKaR0cAEYPdwkXCFRZNmBixNik
|
7352 |
tad_mctc/storch/linalg.py |
sha256=2Ry5our3fBCRjW49iEpw5j9gsuu6PpEq8wwfzRv7YUI
|
30624 |
tad_mctc/storch/utils.py |
sha256=ObwKE9VirszCzUh36JwFqq-fxHQ0eRC_kJMQvAZV-lY
|
1357 |
tad_mctc/tools/__init__.py |
sha256=27VEHWdK7qVFwOKA5HEg942I9oYhj8UjYdpIAnmN0ms
|
755 |
tad_mctc/tools/caching.py |
sha256=i-l0eJ8_ExtzziM66HkmLNQcj2o5zFZmKp2vW9j5wO0
|
6720 |
tad_mctc/tools/memory.py |
sha256=bu84haPybhdyhzH9UljHNP1WKaBXaIWCeGjSvF2CrdA
|
3206 |
tad_mctc/typing/__init__.py |
sha256=TZgmOxEr9JjwroA35qINLnJjXNqWc_2PfVRC6e5EqPU
|
920 |
tad_mctc/typing/builtin.py |
sha256=uv0N30Tv8xBrizmrMN_q79_tdEmkHeBDYyu71QU3JrE
|
1141 |
tad_mctc/typing/compat.py |
sha256=O7tn-qzIJSw-SERYBt-qatwho9zivxAr0Scgtl86zqU
|
4880 |
tad_mctc/typing/pytorch.py |
sha256=rvgLqtIGP7IEpIsBYWz6Bl_zsvSJdJWczbZ71SwnTt0
|
11217 |
tad_mctc/units/__init__.py |
sha256=cKgKQ_NCd3AQaeq7DDB94yEI5_2QvAuZ7_5rEdPEFMg
|
841 |
tad_mctc/units/codata.py |
sha256=HbvXY1CqWqLuYIg0NJplCyKHR1guW6WwCyqAwJLVHYM
|
2025 |
tad_mctc/units/energy.py |
sha256=zgeCuc9a9RXXmKmYuzhaLO2qPNk-D_Hm5QuXG3ggoy0
|
3758 |
tad_mctc/units/length.py |
sha256=pzGfkVE3ljIqddrV24OzDFdoxzXHHjQFKS_fbuGdiuU
|
1463 |
tad_mctc/units/mass.py |
sha256=n61c1FqOU5M4g5fK4eR8HKt-Q8AuuWXEDlBy9uqDGVg
|
1682 |
tad_mctc/units/math.py |
sha256=iOZkSMwgOOW_83LB2dp7YjN0lFgHYeBD2up8NnD0dg4
|
873 |
tad_mctc/units/spectroscopy.py |
sha256=XBhLrYRltG7WnM-B2F7PALI8eKBKaG5kmXECc3IPuuo
|
2490 |
tad_mctc/units/time.py |
sha256=CKdLjAS721vEuIKbX8P_8wtyeOjmgZx1rKk2YQyoZ8M
|
1047 |
tad_mctc-0.3.2.dist-info/LICENSE |
sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA
|
11358 |
tad_mctc-0.3.2.dist-info/METADATA |
sha256=pR9y_Si602TYH3fiPsvy1MhzVc_WaSMM4M7SflDmPNg
|
13946 |
tad_mctc-0.3.2.dist-info/WHEEL |
sha256=In9FTNxeP60KnTkGw7wk6mJPYd_dQSjEZmXdBdMCI-8
|
91 |
tad_mctc-0.3.2.dist-info/top_level.txt |
sha256=FwKps9jC5d-O52OmPI9BZODSGgvZ1sPwIUzCM0GdI9A
|
9 |
tad_mctc-0.3.2.dist-info/RECORD |
— |
— |