File: atoms_info_copy.py

package info (click to toggle)
python-ase 3.17.0-2
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 16,340 kB
  • sloc: python: 117,348; makefile: 91
file content (11 lines) | stat: -rw-r--r-- 203 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
from ase import Atoms

at1 = Atoms('H2', positions=[[0., 0., 0.],
                             [1., 0., 0.]])

at1.info['str'] = "str"
at1.info['int'] = 42

at2 = Atoms(at1)

assert at2.info == at1.info