10
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:42 +01:00
QuAcK/input/molecule

5 lines
101 B
Plaintext
Raw Normal View History

2019-02-07 22:49:12 +01:00
# nAt nEl nCore nRyd
2 2 0 0
# Znuc x y z
1. 0. 0. 0.4
1. 0. 0. -0.4