quack/examples/molecule.F2

mirror of https://github.com/pfloos/quack synced 2024-11-07 06:33:55 +01:00
# nAt nEla nElb nCore nRyd
 2   9     9   0     0
# Znuc   x            y           z
  F     0.           0.         0.
  F     0.           0.         3.3
examples 2020-01-17 17:35:40 +01:00			`# nAt nEla nElb nCore nRyd`
			`2 9 9 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
examples 2020-01-17 17:35:40 +01:00			`F 0. 0. 0.`
FC in pCCD 2020-03-22 22:22:47 +01:00			`F 0. 0. 3.3`