4
1
mirror of https://github.com/pfloos/quack synced 2024-07-04 18:36:03 +02:00
quack/examples/molecule.H2
2020-03-13 09:49:08 +01:00

6 lines
159 B
Plaintext

# nAt nEla nElb nCore nRyd
2 1 1 0 0
# Znuc x y z
H 0. 0. 0.
H 0. 0. 1.399