quack/input/molecule

mirror of https://github.com/pfloos/quack synced 2024-12-24 21:33:56 +01:00
# nAt nEla nElb nCore nRyd
 2   9     9   0     0
# Znuc   x            y           z
  F     0.           0.         0.
  F     0.           0.         2
singlet and triplet G0T0 2019-10-20 08:18:58 +02:00			`# nAt nEla nElb nCore nRyd`
BSE in ppRPA 2020-03-21 21:09:48 +01:00			`2 9 9 0 0`
inital commit for quack 2019-02-07 22:49:12 +01:00			`# Znuc x y z`
BSE in ppRPA 2020-03-21 21:09:48 +01:00			`F 0. 0. 0.`
			`F 0. 0. 2`