4
1
mirror of https://github.com/pfloos/quack synced 2024-06-30 00:44:31 +02:00
quack/examples/molecule.H-

5 lines
113 B
Plaintext

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