4
1
mirror of https://github.com/pfloos/quack synced 2024-06-26 23:22:20 +02:00
quack/examples/molecule.H2

6 lines
149 B
Plaintext

# nAt nEl nCore nRyd
2 2 0 0
# Znuc x y z
H 0. 0. -0.7
H 0. 0. +0.7