4
1
mirror of https://github.com/pfloos/quack synced 2024-07-05 19:06:01 +02:00
quack/input/molecule
2020-01-15 22:29:43 +01:00

6 lines
155 B
Plaintext

# nAt nEla nElb nCore nRyd
2 7 7 0 0
# Znuc x y z
N 0. 0. 0.
N 0. 0. 3