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deltascf-aims

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0.6.4 deltascf_aims-0.6.4-py3-none-any.whl

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Project: deltascf-aims
Version: 0.6.4
Filename: deltascf_aims-0.6.4-py3-none-any.whl
Download: [link]
Size: 33494
MD5: 19990e75b7fd7bf63c74fc92ca93378e
SHA256: 373c6d85a49688090a90229cd10c3293254d59ea345cabd6395e165c69841306
Uploaded: 2023-12-14 16:50:23 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: deltascf-aims
Version: 0.6.4
Summary: Application to test calculation of core holes in FHI-aims
Author: Dylan Morgan
Author-Email: dylan.morgan[at]warwick.ac.uk
Classifier: Programming Language :: Python :: 3
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: >=3.9,<4.0
Requires-Dist: ase (<4.0.0,>=3.22.1)
Requires-Dist: click (<9.0.0,>=8.1.6)
Requires-Dist: matplotlib (<4.0.0,>=3.6.2)
Requires-Dist: numpy (<2.0.0,>=1.26.2)
Requires-Dist: pytest (<8.0.0,>=7.4.3)
Requires-Dist: pyyaml (<7.0,>=6.0)
Description-Content-Type: text/markdown
[Description omitted; length: 2265 characters]

WHEEL

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

RECORD

Path Digest Size
delta_scf/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
delta_scf/add_basis_functions.yml sha256=vdE_1Nh8MlTQ2vKOKB_bb1IJpr2l-GHuOWLICLdDEv8 1730
delta_scf/aims_bin_loc.txt sha256=ltgq3tMh8Jbq0QADoVWmmEXAZ6KdnEs6JpNPEgrLLC8 207
delta_scf/aims_dscf.py sha256=tZv-lohwCzuAVXVs8O3Bqe3krCr0uohGz4m8LzvXTuA 25414
delta_scf/calc_dscf.py sha256=kqLVv2NHvaai1vap9vc4USHLlbWqMr5PCmi0t04StdQ 2788
delta_scf/cli.py sha256=4yy6oQLOABnTL8IzQAlYzT0oal2NDqVb9d_Sl_Rbl9A 9145
delta_scf/elements.yml sha256=2D85XD_-TRe8T4moHoPDAqP4EsHSywIe6Cm0ZODvYUM 489
delta_scf/force_occupation.py sha256=WYI6fd7cONDzjH11ajyglsIxO_EAJltHmoystCgzroA 28194
delta_scf/plot.py sha256=7GOmmH9S5z1XjxORZWL8juGtINQsCkH7Ei6H18eLcEw 2961
delta_scf/schmid_pseudo_voigt.py sha256=WDtfrRGJq1NuynuQOmSe8bLPTTO_PQZPYURYjcCv7kU 2018
deltascf_aims-0.6.4.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
deltascf_aims-0.6.4.dist-info/METADATA sha256=t3l47LbCCJNsm1cBJ-wutu7BjFmmvea0sI8gpXMRyuw 3002
deltascf_aims-0.6.4.dist-info/WHEEL sha256=FMvqSimYX_P7y0a7UY-_Mc83r5zkBZsCYPm7Lr0Bsq4 88
deltascf_aims-0.6.4.dist-info/entry_points.txt sha256=sM3ZEX_cHGfXcs6vxu7LblvcjAJKMYzjDC377nqq61E 46
deltascf_aims-0.6.4.dist-info/RECORD — —

entry_points.txt

[console_scripts]
deltascf = delta_scf.cli:cli