Path |
Digest |
Size |
tad_mctc/__init__.py |
sha256=MjcMHTUz0BFq3CL1ji_AH0SpYhN3Zljt5crQuHwbQR8
|
4375 |
tad_mctc/_version.py |
sha256=sLcorOF7St7EohzMAhCW3pJOx8jSWPHctcXm1BOv4O8
|
1590 |
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=KrdH3fnfTSOFDNegRXnGYqnEx0zJI-p0GflYs5Dej-U
|
4489 |
tad_mctc/autograd/gradcheck.py |
sha256=404P7VTX1JIsttv9yxA_SGZijtl6SLWiG_YkK5D5FmM
|
4188 |
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=gWWG_ofsLqNAHP0-MySaTzc_HM81ZLWgPeSDpbO3c_o
|
2578 |
tad_mctc/batch/__init__.py |
sha256=5glqKwTo8As70LZr_MMDfe9_qSc7jW9XAwezG1HS_xE
|
817 |
tad_mctc/batch/agnostic.py |
sha256=mS1ATyRrX1zA6TsJDWYLYrVmL3FJCDSY36AR7_8tIto
|
1911 |
tad_mctc/batch/mask.py |
sha256=CswAa5_g5kAF3uKJIjzYAhSKJHqF9j3pIZxPUHA9UPw
|
3251 |
tad_mctc/batch/pack.py |
sha256=1dBygwU4nFmpRdIiviXtA83Zhpojuhv-78GBbzPLnNE
|
5722 |
tad_mctc/batch/unpack.py |
sha256=yis7WhG55dGop4uBdmcfnOUsL2zuy19KCiiOvi2wPT4
|
5898 |
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=zIbDeHVs-68ebDzypr-d_EkpvVuTfURUGmjq0ttwDLw
|
3963 |
tad_mctc/convert/pse.py |
sha256=2huwhdf-FhI4KKcxNFvEhl9jtFX6MnUhlYTIVC28mi0
|
1692 |
tad_mctc/convert/pytorch.py |
sha256=WCYvsFsXeMs_VysXMJMsivFqFT3LZURFF3MrWnUtSb8
|
3952 |
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=-RbIhm9S20l68hxw8PWVYdSNIT3lx5iJk6Qn4CNeShM
|
3320 |
tad_mctc/data/mass.py |
sha256=XfdQrtNNmMPJPRbDkkpoFOzDimvpqDMFS8nudFP7UTA
|
2421 |
tad_mctc/data/molecules.py |
sha256=Yt8RYc5O5T3_JDoVHLQsM6HiL9FyKDVh9T76HOVN9Gw
|
69463 |
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=EatvDbOjpZV0jV7Cq9ug4phItKUPLW86ljPyMnahHtU
|
1143 |
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=fjtRSRhcwkN48MKIZevIPwKyPjfLgbvOPxuCmnPVmp0
|
7839 |
tad_mctc/io/checks/shape.py |
sha256=uO54I9EIzCui6dc4M1BVcNdHbDxy10Y1VDba9f7PKrc
|
2281 |
tad_mctc/io/read/__init__.py |
sha256=o3GtyxEscPJL54dD9SHqRUMAQ22rOZT40DXIAmJLNw8
|
1144 |
tad_mctc/io/read/dotfiles.py |
sha256=d2iJOOxSt-3hzYZz8UbNjk8wiyG52HyawmpFDB5DfPw
|
2463 |
tad_mctc/io/read/frompath.py |
sha256=1sH5sR17tjOSLUegRu-JQ4o89cxFK3kZ06oluTG6PWQ
|
6759 |
tad_mctc/io/read/orca.py |
sha256=T5KZ8JShymQVz4SS2uGlaFJoHIxrsqgxJgFl_XelMFw
|
2834 |
tad_mctc/io/read/qcschema.py |
sha256=6LnMKTqLOI7RsYZYS82vjTChqb4iaO-C8QXn8j7K3b0
|
3169 |
tad_mctc/io/read/reader.py |
sha256=CNHTbzD1MxtaS1LqrNkX8f8Ql5tWHZ_PltRt06pqPAY
|
5446 |
tad_mctc/io/read/tblite.py |
sha256=KV-752oeWB4npWgoJrTzO_TURvEgd28r7Tw3EXax9ds
|
2416 |
tad_mctc/io/read/turbomole.py |
sha256=x-wVgH5kfps7GYZo6sBjlpOzBlXx2HMlWq7tDpcQAok
|
5433 |
tad_mctc/io/read/xyz.py |
sha256=aEytDBrR4HIFwYZmQrV-NIloCzHOv1v9lDXU_8hb_no
|
5472 |
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=TtEw3sK4_cR92RreNfAwgVb2q7konGMF9lbXI0rfkS0
|
2446 |
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=A_APDVQ9WPjJ4jzTBPt0hcKglOXWyQnfsc2ZXegypQc
|
13256 |
tad_mctc/molecule/container.py |
sha256=46fjAb_zZ_W-6Wg0DvIG1792MH1LNKXofSCZKJCI6cA
|
5706 |
tad_mctc/molecule/geometry.py |
sha256=Ryn0Xm1DvI-pXfOK0aYOB6tVMGs9jh7oLXMXdFPUcQY
|
4014 |
tad_mctc/molecule/property.py |
sha256=4LstA_7mLyRWi3MojIkneWScX_XH2MRwwPYafpF2EMM
|
4546 |
tad_mctc/ncoord/__init__.py |
sha256=ZUmEfBEBdcViSik27pQgjqMOITnMmdSU4m6eUanQVAw
|
2871 |
tad_mctc/ncoord/count.py |
sha256=0H2yeZm7D9Iz03twhqFBLBjYU9QzrhHMd2yRI1n_ABc
|
5967 |
tad_mctc/ncoord/d3.py |
sha256=e_t2H_xnihwssBmh1jwDB9McfED8-Q16iBv5AM-6RWE
|
5623 |
tad_mctc/ncoord/d4.py |
sha256=FLjus_-IaHOJ-K5smyT0dwYqf0icoK8z4cnm1KdfoLM
|
3731 |
tad_mctc/ncoord/defaults.py |
sha256=rpwhx7vZH1h2mcSPBSsrJS_YORE3q9uz-rfr4-B_6-I
|
1593 |
tad_mctc/ncoord/eeq.py |
sha256=s3DaVj3aK9vV9WN7iBKYJM7-3ZNcAbx1SkrRdp8Q73w
|
4385 |
tad_mctc/storch/__init__.py |
sha256=FVWwPqZHlkcqQoOTxv7UoK3LIxj6v-rwTJYPbF-ZczE
|
1113 |
tad_mctc/storch/distance.py |
sha256=UWCuy0nPhxOs7ngiJKZOFfqI3MSVU5gnfpSi7qOIUnU
|
4532 |
tad_mctc/storch/elemental.py |
sha256=dE1ABrRcF-kNa8p9qKPMldhgAYnHapiNr-E0lwZmXuk
|
4289 |
tad_mctc/storch/linalg.py |
sha256=1mz6MSKFZ_o4o-gJNhZ_KtE6W_c7JNqSm-EPZK5MllA
|
30570 |
tad_mctc/storch/utils.py |
sha256=atX0tR9K3boIOSV_TOkikahOHOe29ZZZvY5a0mExKdA
|
1343 |
tad_mctc/tools/__init__.py |
sha256=27VEHWdK7qVFwOKA5HEg942I9oYhj8UjYdpIAnmN0ms
|
755 |
tad_mctc/tools/caching.py |
sha256=lt9CJTRRiD41llbOJORqjMvDYvyaF26FUV7SfKBv7QQ
|
6412 |
tad_mctc/tools/memory.py |
sha256=IJWqfVQDRRcjSO617jPOEKgYMDFhpE9g6U2ULPM6Nkg
|
3188 |
tad_mctc/typing/__init__.py |
sha256=TZgmOxEr9JjwroA35qINLnJjXNqWc_2PfVRC6e5EqPU
|
920 |
tad_mctc/typing/builtin.py |
sha256=bFOWHt0PjHBEcYtNOea6Xfnwh1jjh863dApH_YfRqAA
|
1107 |
tad_mctc/typing/compat.py |
sha256=_HNf6S6MmmIUNBiC47doXhM6PnNbS2RPJ_XFBDSVprA
|
4777 |
tad_mctc/typing/pytorch.py |
sha256=LtxH1_YdGaviT3ixeYWn3tEMZwilm1llUq9_h4ii5-8
|
8809 |
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=CG3vXSL0Hr2-u-1wq4MT38nOlCWae63rHgPRkV2SbL8
|
3517 |
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-0.1.4.dist-info/LICENSE |
sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA
|
11358 |
tad_mctc-0.1.4.dist-info/METADATA |
sha256=LFJAh85u66ig9U-nXYHP0Wj8DcwccHZeZmj8jzzMVBw
|
11017 |
tad_mctc-0.1.4.dist-info/WHEEL |
sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM
|
92 |
tad_mctc-0.1.4.dist-info/top_level.txt |
sha256=FwKps9jC5d-O52OmPI9BZODSGgvZ1sPwIUzCM0GdI9A
|
9 |
tad_mctc-0.1.4.dist-info/RECORD |
— |
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