pyscf

PySCF: Python-based Simulations of Chemistry Framework

Project description

PySCF: Python-based Simulations of Chemistry Framework

Project details

Release history Release notifications | RSS feed

This version

2.1.1

Sep 23, 2022

2.1.0

Sep 3, 2022

2.0.1

Nov 4, 2021

2.0.0

Nov 1, 2021

1.7.6.post1

Mar 30, 2021

1.7.6

Mar 29, 2021

1.7.5.2

Nov 22, 2020

1.7.5.1

Oct 8, 2020

1.7.5

Oct 8, 2020

1.7.4

Aug 3, 2020

1.7.3

Jun 11, 2020

1.7.2.post2

May 19, 2020

1.7.2

May 14, 2020

1.7.1.post1

Mar 11, 2020

1.7.1

Mar 1, 2020

1.7.0

Jan 2, 2020

1.6.6

Jan 2, 2020

1.6.5

Nov 18, 2019

1.6.4

Sep 16, 2019

1.6.3

Jul 29, 2019

1.6.2

Jun 18, 2019

1.6.1.post1

Mar 19, 2019

1.6.1

Mar 16, 2019

1.6

Jan 1, 2019

1.5.5

Jan 1, 2019

1.5.4

Nov 17, 2018

1.5.3

Sep 6, 2018

1.5.2

Aug 21, 2018

1.5.1

Jul 2, 2018

1.5.0.2

Jun 8, 2018

1.5.0

Jun 8, 2018

1.4.6

Apr 3, 2018

1.4.5

Mar 23, 2018

1.4.4

Mar 21, 2018

1.4.3

Feb 11, 2018

1.4.2

Dec 13, 2017

1.4.0.9

Oct 30, 2017

1.4.0

Oct 9, 2017

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Source Distribution

pyscf-2.1.1.tar.gz (8.5 MB view hashes)

Uploaded Sep 23, 2022 source

Built Distributions

pyscf-2.1.1-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (34.2 MB view hashes)

Uploaded Sep 24, 2022 cp310

pyscf-2.1.1-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (38.2 MB view hashes)

Uploaded Sep 24, 2022 cp310

pyscf-2.1.1-cp310-cp310-macosx_10_15_x86_64.whl (25.8 MB view hashes)

Uploaded Sep 23, 2022 cp310

pyscf-2.1.1-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (34.2 MB view hashes)

Uploaded Sep 24, 2022 cp39

pyscf-2.1.1-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (38.2 MB view hashes)

Uploaded Sep 24, 2022 cp39

pyscf-2.1.1-cp39-cp39-macosx_10_15_x86_64.whl (25.8 MB view hashes)

Uploaded Sep 23, 2022 cp39

pyscf-2.1.1-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (34.2 MB view hashes)

Uploaded Sep 24, 2022 cp38

pyscf-2.1.1-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (38.2 MB view hashes)

Uploaded Sep 24, 2022 cp38

pyscf-2.1.1-cp38-cp38-macosx_10_15_x86_64.whl (25.8 MB view hashes)

Uploaded Sep 23, 2022 cp38

pyscf-2.1.1-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (34.2 MB view hashes)

Uploaded Sep 24, 2022 cp37

pyscf-2.1.1-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (38.2 MB view hashes)

Uploaded Sep 24, 2022 cp37

pyscf-2.1.1-cp37-cp37m-macosx_10_15_x86_64.whl (25.8 MB view hashes)

Uploaded Sep 23, 2022 cp37

pyscf-2.1.1-cp36-cp36m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (34.2 MB view hashes)

Uploaded Sep 24, 2022 cp36

pyscf-2.1.1-cp36-cp36m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (38.2 MB view hashes)

Uploaded Sep 24, 2022 cp36

pyscf-2.1.1-cp36-cp36m-macosx_10_14_x86_64.whl (25.8 MB view hashes)

Uploaded Sep 23, 2022 cp36

Hashes for pyscf-2.1.1.tar.gz

Hashes for pyscf-2.1.1.tar.gz
Algorithm	Hash digest
SHA256	`608442171f5db106b02a95c878c65798fbbd87dc0ce50551a2e081e7d206adb0`
MD5	`2210140e1c780a8be48bcf8fad2217d9`
BLAKE2-256	`9b3cd62ba6a21c3c2c45a87ad0b66b4a99701a6e524fbc234eacb20fdc5f82ce`

Hashes for pyscf-2.1.1-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.1.1-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`c4186d8d9cc2ac3055166ae158a82a91f97f0503f08cd2e2f6110962dcb987ce`
MD5	`00408579ede71ec7a884dd2b2864e266`
BLAKE2-256	`67dd80c110164d2d44f90974e09ce1149a2339338196efc11ee5b497d6113d4e`

Hashes for pyscf-2.1.1-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl

Hashes for pyscf-2.1.1-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm	Hash digest
SHA256	`73693282c0b217480228c160d014af8c44604067f2ec656ee64d0b3ce414e33d`
MD5	`df4126db605f3784c8c408d3bda70808`
BLAKE2-256	`e5ad5a0a5349a72c61324330f8640cf640aa4082b989cf93bcc344f8463b0eac`

Hashes for pyscf-2.1.1-cp310-cp310-macosx_10_15_x86_64.whl

Hashes for pyscf-2.1.1-cp310-cp310-macosx_10_15_x86_64.whl
Algorithm	Hash digest
SHA256	`482d1dfef1280d42a302da6615dcadfe9afc7973e7bf4ef2221f277ef479d40f`
MD5	`4eaf5007d33d1a1994738c6f8693e5bf`
BLAKE2-256	`f8bd23d64827beeef83c225bccc8ac4018c790f632a0a20561c8fb8f9a642354`

Hashes for pyscf-2.1.1-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.1.1-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`a911f1658324fea431d5d3c9e7456cc76869f1e93c4ddf5434e854db9e5aef23`
MD5	`d4e8c0595c548b6d36e1b746471312f3`
BLAKE2-256	`d5a930a9acaf444bd40a2ca078d96ec5aeadb4f0a38363bf9e2b1eb3f7051b3b`

Hashes for pyscf-2.1.1-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl

Hashes for pyscf-2.1.1-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm	Hash digest
SHA256	`5f23a214d28b8a69727b71ec64d5c5ac3487bbcb61a631c2c7dde816962e3ecf`
MD5	`11844efd70f0c5b102feefa6fde9e63b`
BLAKE2-256	`0043d7ddb0464118c2e23e77d87659357794870ea10f116f97b2bc190f9748c1`

Hashes for pyscf-2.1.1-cp39-cp39-macosx_10_15_x86_64.whl

Hashes for pyscf-2.1.1-cp39-cp39-macosx_10_15_x86_64.whl
Algorithm	Hash digest
SHA256	`b2af327767b983d3849cef004048ef2c04a6668f78180078dc19685c61278cf6`
MD5	`6a016fd987d07bb04ba31fbca807b112`
BLAKE2-256	`becea3dc6b32446bd931fd0d7ad7e10d0460a7bb93838e76071c31719d15dd91`

Hashes for pyscf-2.1.1-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.1.1-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`30d88a7b8935c084dd032e70a6dd385f46844b26f3c2f6412e71134c9e72c1cd`
MD5	`ef7be8174ca4564b37bf4280234f0c5d`
BLAKE2-256	`a39c547c95e870809e06d0e362ce4d6ebc7e181ddcea91019fc350582d5343b5`

Hashes for pyscf-2.1.1-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl

Hashes for pyscf-2.1.1-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm	Hash digest
SHA256	`b12bbb27559f47ecd9b8d65a67b40aa8a7f222d1cfd92d5bb062bdf89f0cd0d2`
MD5	`1bf4143b10bdb9f366b75bf72b2abee3`
BLAKE2-256	`3c512dad112b1d12f3add0fad7c4c7987d6e964d8670232e9d7aef8e6142f7bc`

Hashes for pyscf-2.1.1-cp38-cp38-macosx_10_15_x86_64.whl

Hashes for pyscf-2.1.1-cp38-cp38-macosx_10_15_x86_64.whl
Algorithm	Hash digest
SHA256	`e647ff3adb79259f5b8c1917b50e9e4f7354b5948d51eab8465e63365752ec61`
MD5	`00f183448388b05cb44d65712b1b9892`
BLAKE2-256	`c794bcbcbf82a02f522abb157f32388a9aead6172f5ca86b330271fd53c661aa`

Hashes for pyscf-2.1.1-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.1.1-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`a77ead1911c608705829c7f93265a5d336a275a105e912dec9323ffaa2a75961`
MD5	`fecc18664d25d884eb924004f07b7747`
BLAKE2-256	`6cbf5b2dabfda3e152dede3e159dd02e58e8cb58846d181b195bdd26c7ff1093`

Hashes for pyscf-2.1.1-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl

Hashes for pyscf-2.1.1-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm	Hash digest
SHA256	`ad69f52b331f27784430f5f3acdc9f771eb9c7fa8774402558236f41010ed137`
MD5	`b0bc76467614dbde49d2604f1487d30a`
BLAKE2-256	`dd75083e298b789ce8eea5e4ea7dafd07c4c341f6671e9160d6f8a17379ba68f`

Hashes for pyscf-2.1.1-cp37-cp37m-macosx_10_15_x86_64.whl

Hashes for pyscf-2.1.1-cp37-cp37m-macosx_10_15_x86_64.whl
Algorithm	Hash digest
SHA256	`dcc48cf32d02963993c75287b0fd7a4b43dd2e761438559a128553fb806ea984`
MD5	`d52291719b27599af378024cfa4d6eac`
BLAKE2-256	`2219e9dec740732541d93e1ba079fe8c1493e6cc3bdc635723588f5e7b456fa3`

Hashes for pyscf-2.1.1-cp36-cp36m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.1.1-cp36-cp36m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`5baf8e94c7fdd47eaa7d6e9839b545ade5007537861a5403e0f2e1fda35f143b`
MD5	`12edb9d853eac5db65399ab685a4ab44`
BLAKE2-256	`ae3493a2329e473bd9b5bf70f5ca7cbcc355cf23c6a21799dd017ecf500178e3`

Hashes for pyscf-2.1.1-cp36-cp36m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl

Hashes for pyscf-2.1.1-cp36-cp36m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm	Hash digest
SHA256	`eba4da320d7039d9f86a92921455d9a9fdd68366a9f302966b600f8cbc2759d3`
MD5	`dd933c5a247fe28a267b9466396072c4`
BLAKE2-256	`c7f4017d19951a43d4b64b8a113b95256b8f4d97e102ee23b96a0f2c42383e06`

Hashes for pyscf-2.1.1-cp36-cp36m-macosx_10_14_x86_64.whl

Hashes for pyscf-2.1.1-cp36-cp36m-macosx_10_14_x86_64.whl
Algorithm	Hash digest
SHA256	`f536e39c5e1e91403a1fa7dfef3adc0d829f6240ca855b0bcd225407999b4618`
MD5	`4090db205a4297d87e7edab064931921`
BLAKE2-256	`5b0a7582563d9a7b0c2e4cc64c869101f5787bce2d238f61de0938691542d9f3`