quack/input/molecule

mirror of https://github.com/pfloos/quack synced 2024-11-19 20:42:44 +01:00
# nAt nEla nElb nCore nRyd
  2   7    7    4     0
# Znuc   x            y           z
  N     0.           0.          0.
  N     0.           0.          2.2
UHF is working 2019-03-19 11:21:34 +01:00			`# nAt nEla nElb nCore nRyd`
eta parameter 2019-09-22 21:15:53 +02:00			`2 7 7 4 0`
inital commit for quack 2019-02-07 22:49:12 +01:00			`# Znuc x y z`
eta parameter 2019-09-22 21:15:53 +02:00			`N 0. 0. 0.`
			`N 0. 0. 2.2`