Wheelodex » Projects » ccs-fit

ccs-fit

View on PyPI — Reverse Dependencies (0)

0.22.5 ccs_fit-0.22.5-py3-none-any.whl

Wheel Details

Project: ccs-fit
Version: 0.22.5
Filename: ccs_fit-0.22.5-py3-none-any.whl
Download: [link]
Size: 71956
MD5: 1d4d3dc0b0bff854995910e575d4ffc7
SHA256: d2818c31aa6edb05b446a0b800de5130afa408cba2f172c8d95a84c686c996c9
Uploaded: 2024-02-16 09:31:34 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: ccs_fit
Version: 0.22.5
Summary: Fitting tools for repulsive two body interactions using curvature constrained splines.
Author: Akshay Krishna AK
Maintainer: Jolla Kullgren
Maintainer-Email: jolla.kullgren[at]kemi.uu.se
Home-Page: https://github.com/Teoroo-CMC/CCS
Project-Url: Documentation, https://teoroo-cmc.github.io/CCS/index.html
Project-Url: Repository, https://github.com/Teoroo-CMC/CCS
License: GPL-3
Keywords: Curvature,Constrained,Splines,Two-Body,Interatomic,Repulsive,Fitting
Classifier: Development Status :: 4 - Beta
Classifier: License :: Other/Proprietary License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.8
Requires-Dist: ase (>=3.22.1)
Requires-Dist: cvxopt (>=1.3.0)
Requires-Dist: numpy (<1.23.0,>=1.22.4)
Requires-Dist: pandas (>=1.5.0)
Requires-Dist: pyyaml (>=6.0)
Requires-Dist: scikit-learn (<2.0.0,>=1.2.1)
Requires-Dist: scipy (>=1.9.2)
Requires-Dist: sympy (>=1.11.1)
Requires-Dist: tqdm (>=4.64.1)
Description-Content-Type: text/markdown
[Description omitted; length: 7655 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.8.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
ccs_fit/__init__.py sha256=RYINS_977ZhjX5_l1tREbm1FQeVzr4sz2NtzWtPAgKo 1027
ccs_fit/ase_calculator/buck.py sha256=cufY-KCGxD_keVLfUzL9jLvPAmGE4faMNALRXDRFUYk 9636
ccs_fit/ase_calculator/ccs_ase_G2B.py sha256=4Y1u79ZglTTMdAINuckbIMafKm6iJ7WSL8Q7isooZi4 8071
ccs_fit/ase_calculator/ccs_ase_calculator.py sha256=Y2pMvdc908Yv1IQWC9PcJTScqoWU77HhNXpK6L8LO-I 10774
ccs_fit/common/__init__.py sha256=wyPDe4OeHxJlPv8-aQ3Icf3qymW27fIPFisXDE1fCsg 488
ccs_fit/common/exceptions.py sha256=Bd0NNeb27-VgPgZRHCgoS3p735Zq_3T7J8luhKD9-Kk 628
ccs_fit/common/io.py sha256=gFsr0_TbHyfYCr6L4GUIbWY_OFp6PEIBFUc8ebW1X54 1476
ccs_fit/common/math/__init__.py sha256=oNnD1S2bgnowlmNXXWmHzJGcqXgmliBjIrUYayXLCSQ 486
ccs_fit/common/math/ewald.py sha256=7WojMN3SxYNupWZK3SJJ3H68Y4E21LaxQX58aJ8uouo 1071
ccs_fit/common/neighborlist.py sha256=BgS39KGKyXtxdfQX0qhNyHUncKFv-VDfZ1mPTndWpB0 2156
ccs_fit/data/__init__.py sha256=wyPDe4OeHxJlPv8-aQ3Icf3qymW27fIPFisXDE1fCsg 488
ccs_fit/data/conversion.py sha256=M9SAA11Ox95V2Dl03IGhe-cLm1CFr1CUk4qOxBHfBcI 854
ccs_fit/debugging_tools/timing.py sha256=HCNMDLHT70VFEN55HMNPEEL_0wrq6dR-BQTYDHCWNts 805
ccs_fit/fitting/__init__.py sha256=wyPDe4OeHxJlPv8-aQ3Icf3qymW27fIPFisXDE1fCsg 488
ccs_fit/fitting/main copy.py sha256=4gIyhsqJEQ9tuMOPgmYRrRMvi8f4hWzEDs_2qawnPAs 13479
ccs_fit/fitting/main.py sha256=ZHi45YX4xqBoC6gVwVJ7RRgmYW7d72L_mY2AwBOBAFQ 14597
ccs_fit/fitting/objective.py sha256=4V3yV2aSclV7hGRJeW6ylzE-GTvvobKzrp-OjBWJTUs 24221
ccs_fit/fitting/spline_functions.py sha256=7CK8HccZ6hnxJNc2-2i6XbTWYcMcWvMdXje0TOSCwkM 11779
ccs_fit/ppmd_interface/ccs_ppmd.py sha256=_kuxP8iKE-udzYzo-veW_Tm60Y32cFwODi1rstz5ghk 20046
ccs_fit/regression_tool/regression.py sha256=oqJSMgwdcTx6_DyMNa_B7xd0AIclLM_RlUYvpiLgzyk 6913
ccs_fit/scripts/__init__.py sha256=wyPDe4OeHxJlPv8-aQ3Icf3qymW27fIPFisXDE1fCsg 488
ccs_fit/scripts/ccs_build_db copy.py sha256=1IZlHC82ApJ2AJq9VrDUr5VvX6KDWXR9joF28qewtBg 7361
ccs_fit/scripts/ccs_build_db.py sha256=drgJZh0uVWFjDvwYjtec_yEypG4zvNCfyRp8jkCC0g8 7229
ccs_fit/scripts/ccs_export_FF.py sha256=ppY5_lj01oGjNR2FwlVz3uodaoKWPiOBzpGIx2ZEsc4 9063
ccs_fit/scripts/ccs_export_sktable.py sha256=UaFa5eh9GRUAWsyZPTvXgVyHMjoqI-6_wNujeBAUJC0 4148
ccs_fit/scripts/ccs_fetch.py sha256=gnzslae5E1v7beR7tFBKQSnpFDI3iNhoAW8jMSCHhOw 8623
ccs_fit/scripts/ccs_fit.py sha256=n2-d3jQD4GfNCwDN9tS-8Zf3X4yoahwfm4eYn4mtHOs 2537
ccs_fit/scripts/ccs_prune.py sha256=gRlhrONLWKcVtDJd3uyt-T0ByfaR_xOMApAW_RoUY1A 6482
ccs_fit/scripts/ccs_validate.py sha256=rLgE41DyA0PIqFy6PyXz1V29rxp9AC1VUSDFWLbrwbA 6754
ccs_fit/scripts/jsonTotable.py sha256=7oTcNtxcAL1TC4mylEImHlPVcO1gSI3DRBrz4tizNVQ 1779
ccs_fit-0.22.5.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
ccs_fit-0.22.5.dist-info/METADATA sha256=YieyF0x8KtfJxnnub0MTf0zsR1502ZuHGDYkpZdlnjw 9312
ccs_fit-0.22.5.dist-info/WHEEL sha256=FMvqSimYX_P7y0a7UY-_Mc83r5zkBZsCYPm7Lr0Bsq4 88
ccs_fit-0.22.5.dist-info/entry_points.txt sha256=2Av6mGg-2mYpZqSIABkPxs3MEv7r7vg82ZU-S_qTbf0 340
ccs_fit-0.22.5.dist-info/RECORD — —

entry_points.txt

[console_scripts]
ccs_build_db = ccs_fit.scripts.ccs_build_db:main
ccs_export_FF = ccs_fit.scripts.ccs_export_FF:main
ccs_export_sktable = ccs_fit.scripts.ccs_export_sktable:main
ccs_fetch = ccs_fit.scripts.ccs_fetch:main
ccs_fit = ccs_fit.scripts.ccs_fit:main
ccs_prune = ccs_fit.scripts.ccs_prune:main
ccs_validate = ccs_fit.scripts.ccs_validate:main