quack/examples/molecule.BeO

mirror of https://github.com/pfloos/quack synced 2024-11-15 02:23:59 +01:00
# nAt nEla nElb nCore nRyd
  2   6     6   0     0
# Znuc   x            y           z
  Be     0.           0.         0.
  O     0.           0.         2.5148473456
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`2 6 6 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			`Be 0. 0. 0.`
			`O 0. 0. 2.5148473456`