pyscf

PySCF: Python-based Simulations of Chemistry Framework

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Project description

PySCF: Python-based Simulations of Chemistry Framework

Project details

These details have not been verified by PyPI

Project links

Release history Release notifications | RSS feed

2.7.0

Sep 26, 2024

2.6.2

Jun 20, 2024

2.6.1

Jun 18, 2024

2.6.0

Jun 1, 2024

2.5.0

Feb 5, 2024

2.4.0

Oct 16, 2023

This version

2.3.0

Jul 8, 2023

2.2.1

Apr 1, 2023

2.2.0

Mar 15, 2023

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-2.3.0.tar.gz (8.7 MB view hashes)

Uploaded Jul 8, 2023 Source

Built Distributions

pyscf-2.3.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (47.2 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.11 manylinux: glibc 2.17+ x86-64

pyscf-2.3.0-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (40.9 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.11 manylinux: glibc 2.17+ ARM64

pyscf-2.3.0-cp311-cp311-macosx_10_9_universal2.whl (32.6 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.11 macOS 10.9+ universal2 (ARM64, x86-64)

pyscf-2.3.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (47.2 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.10 manylinux: glibc 2.17+ x86-64

pyscf-2.3.0-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (40.9 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.10 manylinux: glibc 2.17+ ARM64

pyscf-2.3.0-cp310-cp310-macosx_11_0_x86_64.whl (32.7 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.10 macOS 11.0+ x86-64

pyscf-2.3.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (47.2 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.9 manylinux: glibc 2.17+ x86-64

pyscf-2.3.0-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (40.9 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.9 manylinux: glibc 2.17+ ARM64

pyscf-2.3.0-cp39-cp39-macosx_11_0_x86_64.whl (32.7 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.9 macOS 11.0+ x86-64

pyscf-2.3.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (47.2 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.8 manylinux: glibc 2.17+ x86-64

pyscf-2.3.0-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (40.9 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.8 manylinux: glibc 2.17+ ARM64

pyscf-2.3.0-cp38-cp38-macosx_11_0_x86_64.whl (32.7 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.8 macOS 11.0+ x86-64

pyscf-2.3.0-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (47.2 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.7m manylinux: glibc 2.17+ x86-64

pyscf-2.3.0-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl (40.9 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.7m manylinux: glibc 2.17+ ARM64

pyscf-2.3.0-cp37-cp37m-macosx_11_0_x86_64.whl (32.7 MB view hashes)

Uploaded Jul 8, 2023 CPython 3.7m macOS 11.0+ x86-64

Hashes for pyscf-2.3.0.tar.gz

Hashes for pyscf-2.3.0.tar.gz
Algorithm	Hash digest
SHA256	`71781de62c25924fd4e93ffeb0451ec0d0b3646fe426c75023f4f519f0f35d85`
MD5	`3402c198d3e93f88aad5370f85554ec9`
BLAKE2b-256	`5b5735c7b9c5b8e42dd1940fc92c6c9b0a4b2d591be128120aa732b0a809503b`

Hashes for pyscf-2.3.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for pyscf-2.3.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`302c85a942d084303f69b1e1400a30c72a3beba22aed4293bc4494d2f950250f`
MD5	`7248041ab7fee340c0c3972304b9e32a`
BLAKE2b-256	`6dba7f80c6f407f53685d204d3b22548cebd828dd020496c5d425c295d80b676`

Hashes for pyscf-2.3.0-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.3.0-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`910c558999b43ac54677459afe65ae5f2ea1e09d2f694565a759b23ae6757667`
MD5	`8cef88d1dfd626925f94773d2f7c2486`
BLAKE2b-256	`66eee0825b492af08cac89fd30363680936facd46e50bb26a2099603ae17760d`

Hashes for pyscf-2.3.0-cp311-cp311-macosx_10_9_universal2.whl

Hashes for pyscf-2.3.0-cp311-cp311-macosx_10_9_universal2.whl
Algorithm	Hash digest
SHA256	`161e62dbd82963341d5639d2549fc5cde4eaa6d3e134e4717ffb16bbab1423ac`
MD5	`8280e93df83b12bec3e6aca90d764565`
BLAKE2b-256	`845ef011d677c692b8c00fcac5fe684fa0e7fcc62c91e1c4f4e285a065b098f0`

Hashes for pyscf-2.3.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for pyscf-2.3.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`85f41ecab75b65daad78a9e0b08c25a9b9f1810f1958a6ffe3c37c75f6d70b3f`
MD5	`ca05a463afd71935af8dd84d0fb94c01`
BLAKE2b-256	`bccce1964a93d7ccdb7d8926103ba97527e3c808ad79ee78e2de6531c3376bde`

Hashes for pyscf-2.3.0-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.3.0-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`7983ba4011bf38ae117dbb32ad8cd3a1737f43ee27b925efdc5d2366e7ef10d0`
MD5	`bc7701f5d0da7ae2b7039e4a91882594`
BLAKE2b-256	`eabf6f14522d23ac897bea8af61d8bad0b4477b7882a5162bc166a1979316092`

Hashes for pyscf-2.3.0-cp310-cp310-macosx_11_0_x86_64.whl

Hashes for pyscf-2.3.0-cp310-cp310-macosx_11_0_x86_64.whl
Algorithm	Hash digest
SHA256	`01c89d2188468671f056cc08af63e41b3d88f2db9b9dfcb23800f2311c487fc2`
MD5	`da9878e2b89014c56f1e7f9e36db4569`
BLAKE2b-256	`d577c4b5b8aa066a7988cd81ca91ce796c32f1f27a672790e9ab1717b57b769b`

Hashes for pyscf-2.3.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for pyscf-2.3.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`d69594345351d859d37cb32f796143c9a6060762d1f0bc987f25215c2225c7e7`
MD5	`d55135cb9658409fef4873d0d43e6834`
BLAKE2b-256	`8ed96d618d32b08746c2f38c530eae9ead3d97098bff43e4773edacb294542ee`

Hashes for pyscf-2.3.0-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.3.0-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`b5b80891631904bd27b0aeff2d4548bdf90300e4b23dbf49dc8cf7eddbdb4eb8`
MD5	`d68301148852e743c7e588022e09c388`
BLAKE2b-256	`a79aae2b9c23c4d4283eef2e4d84b3049de779eea1d2f4aedb65345283c6b0d1`

Hashes for pyscf-2.3.0-cp39-cp39-macosx_11_0_x86_64.whl

Hashes for pyscf-2.3.0-cp39-cp39-macosx_11_0_x86_64.whl
Algorithm	Hash digest
SHA256	`6965d8f639f68cde54a05b2e979ee5c0b4c1cb7759ceb40fdd7f5ce8e9ad6a0f`
MD5	`a5c59bbcf046af4918f970cc069783bc`
BLAKE2b-256	`15e366a2556c43f86c449dc40e083e5fd30e3ee94a10f3028882008b7c81c5f1`

Hashes for pyscf-2.3.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for pyscf-2.3.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`c8d838004bda8cf627aebb80aee0d9d6a0001645565bc3e7be178c248d268b7f`
MD5	`4afc630cdce1b8a9011843cee4d0f170`
BLAKE2b-256	`6d9be9258200fb120a9ae1b4c6ef95f43eaf13b8f7b9a7daccbc21ac1aae44d7`

Hashes for pyscf-2.3.0-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.3.0-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`d94cceab9eb19bc31cd5ca9796e2cfb42547d6ad9b73c5c6f1dba521e438b9b3`
MD5	`e0acd74437b5a52e38af06ed4a0e0932`
BLAKE2b-256	`7fa6db931f80fd7a1866a87ee25afc8002fa3f8fcee53f057a19d867be4963b5`

Hashes for pyscf-2.3.0-cp38-cp38-macosx_11_0_x86_64.whl

Hashes for pyscf-2.3.0-cp38-cp38-macosx_11_0_x86_64.whl
Algorithm	Hash digest
SHA256	`1bf5c709392df24e9ffc80c16b8a7bf9f2d5d68d80121d2851850339fc486611`
MD5	`5b6511827373ea0c2cbaf6d108589bac`
BLAKE2b-256	`13650c4927f19a40439ec93ad44acee0fe0a84a921815d0b7faabe4058c39198`

Hashes for pyscf-2.3.0-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for pyscf-2.3.0-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`b032099e74d3a8a16146f1e2a85d9f959b123ff07187da9e16c2772895289cce`
MD5	`a6e1cde87293763a2274d505a1fe7cae`
BLAKE2b-256	`4699580325f45f921566d6972608470f516bcab13f271c0f46af3492866c50d0`

Hashes for pyscf-2.3.0-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Hashes for pyscf-2.3.0-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm	Hash digest
SHA256	`53b3d5343f36ff5366f1e40a3a222976eda2f51bc0d0c33a2ecaafde40a3acb7`
MD5	`77a608063b3593b512dc172bb7737bff`
BLAKE2b-256	`a5528d1250da343a2897839d335198f7147f248ce284b70ec8cfee3aaf019b87`

Hashes for pyscf-2.3.0-cp37-cp37m-macosx_11_0_x86_64.whl

Hashes for pyscf-2.3.0-cp37-cp37m-macosx_11_0_x86_64.whl
Algorithm	Hash digest
SHA256	`a42a1cdef94eafd479b914e8dfc7aa714330f181be61f812b68d81731ce78ba6`
MD5	`009334de313f52e949af1d6454ea93a3`
BLAKE2b-256	`81549f4fd191e16472ed56040c17f2cba78a324b12a29e8284bd3ab1f73b8928`