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fasma

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0.0.1 fasma-0.0.1-py3-none-any.whl

Wheel Details

Project: fasma
Version: 0.0.1
Filename: fasma-0.0.1-py3-none-any.whl
Download: [link]
Size: 30232
MD5: 169dc947a04737bec81992f0a0ae2a2a
SHA256: 70923987c9ec323f4e216bbe238900499ef4207bf5787d777156c2e77e8ed9e4
Uploaded: 2023-08-18 22:51:13 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: fasma
Version: 0.0.1
Summary: Analyzer for computational chemistry outputs
Author-Email: Kevin Hoang <khoang89[at]uw.edu>
Project-Url: Homepage, https://github.com/xsligroup/fasma
License: MIT License Copyright (c) 2023 xsligroup Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Keywords: chemistry,gaussian,chronus,spectra
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.9
Requires-Dist: numpy (>=1.23.0)
Requires-Dist: matplotlib (>=3.5.2)
Requires-Dist: scipy (>=1.9.1)
Requires-Dist: pandas (>=1.4.3)
Requires-Dist: notebook (>=6.5.4); extra == "data"
Requires-Dist: jupyter; extra == "data"
Provides-Extra: data
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 327 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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fasma/core/df_filters.py sha256=-fv6se2lw8LLokCwKUWnpTXMYL-cGdL0pEzHdj2dttQ 3153
fasma/core/df_generators.py sha256=itVIUM6nmEEFCIU_QDTNh8830J7UxVveCbl4kbqLhDg 6152
fasma/core/file_compressor.py sha256=Bq-Kq38IhRW2_OI5qk465_1ai91weesfR4VD44DZVAI 3720
fasma/core/file_reader.py sha256=rwq2bQcqSIeQ7euAHL6rQ7kLXYWBp4caoCG6aLfKOsk 4526
fasma/core/functional.py sha256=Jcx5f2n38lRJaG5sMWBaqgUFnbzYtSuv4AAr9DdJ370 5646
fasma/core/keyword_trie.py sha256=jIF-QYyMcA6SCg_K1oxCALCY0L3xiIw1V9dADLdHScE 3423
fasma/core/messages.py sha256=CIp_ZhbhB8-jRKi8F_jxR2UtKNJDeTvRczV1H7az7zk 310
fasma/core/plotter.py sha256=ly2rhCkNZ67hr66dwnxXBZ_BhOLrmyeb7j_HXT5leSU 11799
fasma/core/spectrum.py sha256=pbEsTf3Bg7nl_r4x9J34aPPUSahZxoxWf0WLRAUlKfw 2963
fasma/gaussian/parse_basic.py sha256=FT92NuAkz8yHQnnUw1wcLVddi1RHAgNuoEdjDAMOE9Q 4079
fasma/gaussian/parse_cas.py sha256=2Ira7JG623ZdRGerXPvg7mRdbtCtwWwvMT92BhmPVWo 7038
fasma/gaussian/parse_excitation.py sha256=QfS53UK-276kBMeytO5b4FgKGVp4Ut9dzoEAET2TyPc 1751
fasma/gaussian/parse_functions.py sha256=ES5ZRKmgh4VtYrk8TI5fpQiYpRxnokwhXjam2mPhTf0 5050
fasma/gaussian/parse_gaussian.py sha256=Y_br3lZIXSKWV4EqDaoD2H-R3XnaAbUcOE4t179GYKc 641
fasma/gaussian/parse_matrices.py sha256=Mr9HVuoix4_j_v5k1XG5XN4sMktQJKmWDCLz6epLDzo 4648
fasma/gaussian/parse_pop.py sha256=ouGbr0Z9jwPZLlHmgHO7G3QbrHpZjKmXnGu1HQm2IuI 8377
fasma/gaussian/parse_td.py sha256=62iBldGUytCo50EWGOdV_tX40oncY1fHFwNwhG_bIM0 6586
fasma-0.0.1.dist-info/LICENSE sha256=bKDhkmFaKGa2aS8FVc7vvYUwq9PslqkmOAq3-DNJUnY 1087
fasma-0.0.1.dist-info/METADATA sha256=6gr0PjJb2KBezoXOFPrJPY47uom_gHPqghUVgZ308fc 2485
fasma-0.0.1.dist-info/WHEEL sha256=5sUXSg9e4bi7lTLOHcm6QEYwO5TIF1TNbTSVFVjcJcc 92
fasma-0.0.1.dist-info/top_level.txt sha256=lyyDtDqVnnWUwWW9PwdMtggQLmkJAcFLXRxeft931_M 6
fasma-0.0.1.dist-info/RECORD — —

top_level.txt

fasma