4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
quack/input/molecule
2019-03-19 09:49:38 +01:00

5 lines
114 B
Plaintext

# nAt nEl nCore nRyd
1 2 0 0
# Znuc x y z
He 0.0 0.0 0.0