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0.1.1 amcess-0.1.1-py3-none-any.whl

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Project: amcess
Version: 0.1.1
Filename: amcess-0.1.1-py3-none-any.whl
Download: [link]
Size: 37544
MD5: c28297617e1512f809469cf0b3ef37ea
SHA256: 02891785a3e38cb9fb7d2b22321811ac688efc8e461415495843037fdf470b02
Uploaded: 2021-12-22 10:06:10 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: amcess
Version: 0.1.1
Summary: Atomic and Molecular Cluster Energy Surface Sampler
Author: Edison Florez, Andy Zapata, Daniel Bajac, Alejandra Mendez, Cesar Ibarguen, José Aucar
Author-Email: edisonffhc[at]gmail.com, danianescobarv[at]gmail.com
Home-Page: https://gitlab.com/ADanianZE/amcess
License: The GPLv3 License
Keywords: Atomic Cluster,Molecular Cluster,optimization,Potential Energy Surface,PES,Monte Carlo,Simulated Annealing,Bayesian Optimization
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Topic :: Scientific/Engineering
Requires-Dist: GPyOpt (==1.2.6)
Requires-Dist: attrs (==21.2)
Requires-Dist: geomeTRIC (==0.9.7.2)
Requires-Dist: h5py (==3.1.0)
Requires-Dist: matplotlib (==3.4.2)
Requires-Dist: numpy (==1.21.2)
Requires-Dist: pyDOE (==0.3.8)
Requires-Dist: pyberny (==0.6.3)
Requires-Dist: pyscf (==1.7.6.post1)
Requires-Dist: scipy (==1.7.1)
Description-Content-Type: text/markdown
[Description omitted; length: 8885 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.34.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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amcess/ascec.py sha256=RGyElldwbWp64L2ISiDGPeo-CH-DM5K75xdXcU5VLVs 6328
amcess/base_molecule.py sha256=orCfiDCM587cN_gE0ZZDM0KOzrHsfHnZIAxBEd1GWfc 39207
amcess/electronic_energy.py sha256=LwIp0wAxuBzAZiKsnbuA6mC3X1oClUQCqxJ623vXj9E 9164
amcess/gaussian_process.py sha256=Ocf4ds9QntiVpgn3Wx5LxC-DgwFEHGBP1_-DgtsiCJA 8874
amcess/search_engine.py sha256=5QVA0X-zi_mYKgiMh_m8ooCTQNHGhktwXt8uLWe_6N4 8755
amcess/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
amcess/data/atomic_data.py sha256=cQc5Fqc6oPdRlDP6H1iOvbPKCUqNZbIeOLdL06F9KcU 9259
amcess-0.1.1.dist-info/LICENSE sha256=ixuiBLtpoK3iv89l7ylKkg9rs2GzF9ukPH7ynZYzK5s 35148
amcess-0.1.1.dist-info/METADATA sha256=2DhaSFvi_Mv03zdBGdBbWgkIGYyotYV3K6I5H1RP_p0 10290
amcess-0.1.1.dist-info/WHEEL sha256=g4nMs7d-Xl9-xC9XovUrsDHGXt-FT0E17Yqo92DEfvY 92
amcess-0.1.1.dist-info/top_level.txt sha256=jPiI-A-6PQDS4PHoznANHHh-DLS6QEQSdf75QS7THtU 7
amcess-0.1.1.dist-info/RECORD — —

top_level.txt

amcess