4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 21:04:00 +01:00
quack/input/molecule

5 lines
101 B
Plaintext

# nAt nEl nCore nRyd
2 2 0 0
# Znuc x y z
1. 0. 0. 0.4
1. 0. 0. -0.4