4
1
mirror of https://github.com/pfloos/quack synced 2024-11-06 22:24:03 +01:00
quack/examples/molecule.H

5 lines
121 B
C

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