10
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
QuAcK/input/molecule
2019-05-04 17:13:50 +02:00

5 lines
125 B
Plaintext

# nAt nEla nElb nCore nRyd
1 9 9 0 0
# Znuc x y z
X 0.0 0.0 0.0