seminar:atoms_by_pydoc
ase.atoms | index /usr/local/lib/python2.7/dist-packages/ase/atoms.py |
Definition of the Atoms class.
This module defines the central object in the ASE package: the Atoms
object.
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atomic_masses = array([ 0. , 1.00794, 4.0026 , 6.... nan, nan, nan, nan]) atomic_numbers = {'Ac': 89, 'Ag': 47, 'Al': 13, 'Am': 95, 'Ar': 18, 'As': 33, 'At': 85, 'Au': 79, 'B': 5, 'Ba': 56, ...} chemical_symbols = ['X', 'H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', ...] |
seminar/atoms_by_pydoc.txt · 最終更新: 2022/08/23 13:34 by 127.0.0.1