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0.1.2 mess_jax-0.1.2-py3-none-any.whl

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Project: mess-jax
Version: 0.1.2
Filename: mess_jax-0.1.2-py3-none-any.whl
Download: [link]
Size: 31684
MD5: fc07b5442b9fb96dd180d6d6b0c18846
SHA256: d14bc43537f41cfa7669891bf7cc443f6a4ea4c7b24f0fa206fe1c0a16e9d39b
Uploaded: 2024-09-25 15:44:41 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: mess-jax
Version: 0.1.2
Summary: MESS: Modern Electronic Structure Simulations
Author-Email: Hatem Helal <hatem[at]valencelabs.com>
Project-Url: Website, https://github.com/valence-labs/mess
Project-Url: Source Code, https://github.com/valence-labs/mess
Project-Url: Bug Tracker, https://github.com/valence-labs/mess/issues
Project-Url: Documentation, https://valence-labs.github.io/mess/
License: MIT License
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Topic :: Scientific/Engineering
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.11
Requires-Dist: equinox
Requires-Dist: jax[cpu]
Requires-Dist: jaxtyping
Requires-Dist: more-itertools
Requires-Dist: optax
Requires-Dist: optimistix
Requires-Dist: pandas
Requires-Dist: periodictable
Requires-Dist: pyarrow
Requires-Dist: pyscf
Requires-Dist: py3Dmol
Requires-Dist: basis-set-exchange
Requires-Dist: sympy
Requires-Dist: importlib-resources
Requires-Dist: jupyter-book; extra == "dev"
Requires-Dist: tqdm; extra == "dev"
Requires-Dist: ipywidgets; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-benchmark; extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Requires-Dist: ruff; extra == "dev"
Requires-Dist: mdformat-gfm; extra == "dev"
Requires-Dist: seaborn; extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2744 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (74.1.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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mess/autograd_integrals.py sha256=5DW0Ag_1f6GFCf52fiSmwXcJTn6ujua-aTTFXW0LFGQ 2606
mess/basis.py sha256=87iJ2GP1fLBLmhJm6ty0-wpE4-1QeMenzli_CbTG_qU 5150
mess/binom_factor_table.py sha256=HCMZxrVynj-BMeGP3vDELMKPcnSBzYGzrSgRegUE6hA 3653
mess/hamiltonian.py sha256=DCt0dFJcgQWpieQZHU13GPmZSBzINtFZsmUwm59fOJo 9389
mess/integrals.py sha256=79kfYG-jhnsGfZLUndJnPbr9cYJ8kMbfbNRb9Pf3cnw 11905
mess/interop.py sha256=CaY8_xghhj-pZjQ3-frDNg65zAuGPgWK53WX_5V7zzQ 1678
mess/mesh.py sha256=kylUd41TMbMN_E3BcEOP6iom3-5ZUAfGXbPq7rGGwgk 2198
mess/numerics.py sha256=nFvHP7SFtMB9vHlbgjGPXMW0nreorkuJQm1W8BJU-g8 1433
mess/orbital.py sha256=W3agHU9q0FyZSnkWjTpubadcjx1x1dnODVGwcU6H75I 1741
mess/orthnorm.py sha256=WVztUQ_qlosl_6QPoMfCrn7mXdQhasYPXeNJCnNpAo0 1996
mess/package_utils.py sha256=c9rhP7BXrs7-F2ZP7P5ZZpeDgMxb5VF3hUPEp-uWaTA 2566
mess/plot.py sha256=X8iUB2UrQoLNxGaGxQHV7C3shSbMWOSbcjhFe7vAYNY 6131
mess/primitive.py sha256=MpTHSY0DyWXhULmPHkU0zpr967CApPeWMYUD0llvcyw 2597
mess/scf.py sha256=S9v-Tg3wo_4WP5vDRl-qJcyXg0DSFRwI3lQpIkcoTcI 1616
mess/special.py sha256=xxBdq8KwizIt1lpbIzWUQ6Zfqy3se1dhsbELdz_ulfQ 6803
mess/structure.py sha256=FZJei_v7M_mx5DKD1oZg32WEQJM7ODUWn8WePVH1y3o 3826
mess/types.py sha256=hjtNvTywDcIpDFfNHiJm9KeYO8HCMR_TJhRp4bI7dDY 767
mess/units.py sha256=zN15r9OqLQA44y1FraATYJvCIJsADfrRnM-uOZQdB_w 588
mess/xcfunctional.py sha256=RjFezR-HOTjMnqOSg6MKIGCBQp8Y5D8LUHHoLa-th4U 6019
mess/zeropad_integrals.py sha256=sGlFB48e7ow7buxlIKddYC56ihudbVl_5SgQ4ob4fxo 1505
mess_jax-0.1.2.dist-info/LICENSE sha256=to5tnbm-US5CF5YK80Gea1SFb8Hhg1VbyiJhGy5hm4o 1107
mess_jax-0.1.2.dist-info/METADATA sha256=vB32lHsMCA4undqv4f-WfdXeRnJNS3onZxo6tcbIZb4 4243
mess_jax-0.1.2.dist-info/WHEEL sha256=cVxcB9AmuTcXqmwrtPhNK88dr7IR_b6qagTj0UvIEbY 91
mess_jax-0.1.2.dist-info/top_level.txt sha256=UbSSUm3AMXVYp6txN9QarNcCHjKNuL-I1fOjGcUg3NA 5
mess_jax-0.1.2.dist-info/RECORD — —

top_level.txt

mess