4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 20:42:44 +01:00
quack/examples/molecule.BH

6 lines
157 B
Plaintext
Raw Normal View History

2019-03-19 10:18:03 +01:00
# nAt nEl nCore nRyd
2 6 2 0
# Znuc x y z
1. 0. 0. 0.
5. 0. 0. 2.3281424179