quack/examples/molecule.O2

mirror of https://github.com/pfloos/quack synced 2024-11-13 01:23:59 +01:00
# nAt nEla nElb nCore nRyd
  2   8     8   0     0
# Znuc   x            y           z
  O      0.           0.         -1.13384
  O      0.           0.         +1.13384
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`2 8 8 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
clean up 2020-01-17 13:45:02 +01:00			`O 0. 0. -1.13384`
			`O 0. 0. +1.13384`