4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00
quack/input/molecule

6 lines
157 B
Plaintext

# nAt nEla nElb nCore nRyd
2 1 1 0 0
# Znuc x y z
H 0. 0. 0.
H 0. 0. 2.4