{ "info": { "author": "Andrew H Nguyen", "author_email": "andrewhuynguyen10@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Developers", "Intended Audience :: Science/Research", "License :: OSI Approved :: BSD License", "Natural Language :: English", "Operating System :: MacOS", "Operating System :: POSIX :: Linux", "Programming Language :: C", "Programming Language :: Python", "Programming Language :: Python :: 2", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.5", "Topic :: Scientific/Engineering" ], "description": "# pycsoap\n\n## example\n\n```\nfrom ase.io import read\nfrom pycsoap.soaplite import SOAP\n\ngb1 =read('/Users/andrewhuynguyen/Desktop/gb0011039001.xyz')\nsoap_desc = SOAP(atomic_numbers=[26], rcut=5, nmax=9, lmax=9)\ninput_soap=soap_desc.create(gb1)\ninput_soap\n```\n\n\n`input_soap` will return a matrix MxN (M is the number of atoms in the 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