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0.1.0 polaritonic_index-0.1.0-py3-none-any.whl

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Project: polaritonic-index
Version: 0.1.0
Filename: polaritonic_index-0.1.0-py3-none-any.whl
Download: [link]
Size: 35770
MD5: 133fb05e8dfde13012cd67ccfcef62d1
SHA256: 8cb37b6daf5a56f7c02be53858b3a3e0e0c1e788a99afaf3ea91fd64fdd76fb3
Uploaded: 2024-11-28 13:49:05 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: polaritonic-index
Version: 0.1.0
Summary: Polaritonic Index (PI) is a computational tool designed to analyze and classify excitations in hybrid systems composed of a metal nanoparticle and one or more molecules. By examining transition density file, PI can differentiate between metal, molecular and 'hybrid' excitations (these could be polaritonic or charge transfer excitations).
Author: Lucia Cascino
Author-Email: lucia.cascino[at]unisalento.it
Maintainer: Lucia Cascino
Maintainer-Email: lucia.cascino[at]unisalento.it
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9.6,<3.13
Requires-Dist: matplotlib (<4.0.0,>=3.9.2)
Requires-Dist: pymatgen (<2025.0.0,>=2024.8.9)
Requires-Dist: rich-click (<2.0.0,>=1.8.4)
Requires-Dist: scikit-learn (<2.0.0,>=1.5.2)
Description-Content-Type: text/markdown
[Description omitted; length: 16640 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
polaritonic_index/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
polaritonic_index/clustering_structure.py sha256=cG9iyUtADiftSCIs8nJJwNoy9d28WfFDPPLIR7GP5Dw 13274
polaritonic_index/data_analysis.py sha256=LIHNI78ynkKIeCd4POQ5TCfd3hM6p_7MoNb6AHo5-Fg 8282
polaritonic_index/main_TDDFT.py sha256=JSPZGawI-U9SyxnO749z6Feaimr6jgqdcUt8s1k_V_8 10807
polaritonic_index/main_groundstate.py sha256=7LZ1wRkabfY51BUfmx-VBejSeAq-dO2Q9lfoZX9dlzY 5422
polaritonic_index/read_file.py sha256=cMll9qASiU3PzFxlNe9SmF-dCdQy3JHXfJkzjdgnzCw 4607
polaritonic_index/utils.py sha256=lqeCYxH5tYQ004CUST1Yw5t70Dt78zucBeo5gGdn6lY 10292
polaritonic_index-0.1.0.dist-info/LICENSE sha256=PGjDmTBBfUj2bH2BY58NTBIA4SRemwPDOplKRDZlzjk 35555
polaritonic_index-0.1.0.dist-info/METADATA sha256=f9z9mcqLlqA2cVOxQElkFLVGpi332o4IL1ViF3X_uh0 17643
polaritonic_index-0.1.0.dist-info/WHEEL sha256=Nq82e9rUAnEjt98J6MlVmMCZb-t9cYE2Ir1kpBmnWfs 88
polaritonic_index-0.1.0.dist-info/entry_points.txt sha256=7G43WrX5YrlgKYKgsf3d0BOtBgsYZbKNOsgjY6A95NU 142
polaritonic_index-0.1.0.dist-info/RECORD — —

entry_points.txt

[console_scripts]
excited_state_analysis = polaritonic_index.main_TDDFT:action
ground_state_analysis = polaritonic_index.main_groundstate:action