quack/input/molecule

mirror of https://github.com/pfloos/quack synced 2025-01-10 21:18:33 +01:00
# nAt nEl nCore nRyd
  2   9   9  0      0
# Znuc   x            y           z
  F     0.           0.          0.000
  F     0.           0.          2.68454493
G0T0 bug and clean up 2019-10-18 23:16:37 +02:00			`# nAt nEl nCore nRyd`
			`2 9 9 0 0`
inital commit for quack 2019-02-07 22:49:12 +01:00			`# Znuc x y z`
G0T0 bug and clean up 2019-10-18 23:16:37 +02:00			`F 0. 0. 0.000`
			`F 0. 0. 2.68454493`