10
1
mirror of https://github.com/pfloos/quack synced 2024-08-27 06:31:45 +02:00
QuAcK/input/molecule
2019-04-24 18:00:54 +02:00

5 lines
125 B
Plaintext

# nAt nEla nElb nCore nRyd
1 72 72 0 0
# Znuc x y z
X 0.0 0.0 0.0