quack/examples/molecule.H-

mirror of https://github.com/pfloos/quack synced 2024-06-21 12:42:15 +02:00
# nAt nEla nElb nCore nRyd
  1   1     1   0     0
# Znuc   x            y           z
  H      0.0          0.0         0.0
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`1 1 1 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			`H 0.0 0.0 0.0`