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FPTE

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1.2.1 FPTE-1.2.1-py3-none-any.whl

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Project: FPTE
Version: 1.2.1
Filename: FPTE-1.2.1-py3-none-any.whl
Download: [link]
Size: 29599
MD5: e7a0a9a41cef5e57c1356a17a1116773
SHA256: f4209fc8097494c1897643666535c783b4ca916d6304c90731b6fc0a30a6146c
Uploaded: 2022-02-21 06:16:56 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: FPTE
Version: 1.2.1
Summary: The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not limited to stress-strain method for getting second order elastic tensors using DFT package VASP as well as, ab initio molecular dynamic method for temperaturedependent elastic constants.
Author: Mahdi Davari
Author-Email: Mahdi.Davari[at]iCloud.com
Home-Page: https://github.com/MahdiDavari/FPTE
Download-Url: https://pypi.org/project/FPTE/#files
Project-Url: Documentation, https://github.com/MahdiDavari/FPTE/blob/master/README.md
Project-Url: Source Code, https://github.com/MahdiDavari/FPTE
Project-Url: Bug Reports, https://github.com/MahdiDavari/FPTE/issues
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python
Classifier: Topic :: Software Development
Classifier: Topic :: Scientific/Engineering
Classifier: Development Status :: 5 - Production/Stable
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.7
Requires-Dist: numpy (>=1.16.5)
Requires-Dist: pandas (>=0.25.3)
Requires-Dist: matplotlib (>=2.2.4)
Requires-Dist: joblib (>=0.11)
Requires-Dist: subprocess32 (>=3.5.4)
Requires-Dist: pandas (>=0.25.3); extra == "docs"
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Requires-Dist: sphinx-prompt (>=1.3.0); extra == "docs"
Requires-Dist: sphinxext-opengraph (>=0.4.2); extra == "docs"
Requires-Dist: pandas (>=0.25.3); extra == "examples"
Requires-Dist: matplotlib (>=2.2.4); extra == "examples"
Requires-Dist: seaborn (>=0.9.0); extra == "examples"
Requires-Dist: pandas (>=0.25.3); extra == "tests"
Requires-Dist: matplotlib (>=2.2.4); extra == "tests"
Requires-Dist: pytest (>=5.0.1); extra == "tests"
Requires-Dist: PyHamcrest (>=2.0.3); extra == "tests"
Requires-Dist: pytest-cov (>=2.9.0); extra == "tests"
Requires-Dist: pyamg (>=4.0.0); extra == "tests"
Provides-Extra: docs
Provides-Extra: examples
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4402 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
FPTE/FPTE sha256=yh12Ce7IjixH8fAozSBujlDQOJzi4Ec9rXQSrJGghDU 3246
FPTE/FPTE_Analyze_Stress.py sha256=4fZsPikmoyxQA-KRT4lvDQMTY8z1MkzKnPYGa40Bkgc 23182
FPTE/FPTE_Ensemble_Average_AIMD.py sha256=aq0JfxWRXKfeApEvVRUkaH3QKphvXv8SMyCKNR4fPSE 3151
FPTE/FPTE_RMSD.py sha256=_D9n_HhhAk3wsOXDTAtHv1-jrl-fN0yMUqlVrBCd7Xw 1959
FPTE/FPTE_Result_Stress_2nd.py sha256=SS_mrWyFfl36t7xvWuwUEkIwpLoM9954fx0F1u4Pweg 35408
FPTE/FPTE_Setup_VASP.py sha256=dM6CfpYaPEABYxhIhLPRRDUn6c3k1vqlCOi7pvn8X9E 24419
FPTE/FPTE_clean.py sha256=nZcI6UqGELYqf1lS5L4JzE0mPqBnq8qv9-m87XHuG80 335
FPTE/__init__.py sha256=uCNkkFFj2bzh0yHYKNIyshw-FuKiWE-cCFiQpNcC-Og 514
FPTE/_min_dependencies.py sha256=IsCn1VjffXSOunbg5BpgWBI67DI6ZIrI7MsCIWpABC0 1838
FPTE/exceptions.py sha256=Q0VowDYdD8W4i8byYiTEo-SuGeglbodGlw0VT_1QwHU 334
FPTE-1.2.1.data/scripts/FPTE sha256=5M36QbaU9tMbmvnIHVeJXPiaYodiUvrV1p8AhmaUCbI 3233
tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/FPTE/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/FPTE/test_FPTE_Analyze_Stress.py sha256=whFg1qeHtNhb_ud-Kb9rse-mYQG2jbsEElktIxHo_8Y 101
tests/FPTE/test_FPTE_RMSD.py sha256=8euraLNThBo6rHoYYSOE-gmjrY-1Yukhp-Ssy1Ne4-g 436
tests/FPTE/test_FPTE_Result_Stress_2nd.py sha256=bKpvK8tPUbzR2xS3o6L2W7Oh2-ZAcC34sTngarG3zt8 100
tests/FPTE/test_FPTE_Setup_VASP.py sha256=WtVwN5rRXRgh4qQDpPhAvwmqOIU_ruRbH8SwSOHXWn8 98
tests/FPTE/test_FPTE_clean.py sha256=WK2A078AlOCnVIYTuI4Zxe8xAVEMym2_fIrlI78EsQc 318
FPTE-1.2.1.dist-info/LICENSE sha256=El_V34V52zxTly70US5QfBmcWpr8v3P4f5utBtDTTv8 1075
FPTE-1.2.1.dist-info/METADATA sha256=6eam2yDhagimTDaP_nVhogo3Y2nXdnggdUvgUbbQNGI 7321
FPTE-1.2.1.dist-info/WHEEL sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA 92
FPTE-1.2.1.dist-info/top_level.txt sha256=PyNFQn4FjlQMyy1YpXl6tMOzUY9UXzfEP6nY4maUkMk 11
FPTE-1.2.1.dist-info/RECORD — —

top_level.txt

FPTE
tests