10
1
mirror of https://github.com/pfloos/quack synced 2024-07-24 11:47:37 +02:00
QuAcK/input/molecule
2019-07-15 12:07:54 +02:00

5 lines
124 B
Plaintext

# nAt nEla nElb nCore nRyd
1 5 5 0 0
# Znuc x y z
Ne 0.0 0.0 0.0