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

5 lines
124 B
Plaintext

# nAt nEla nElb nCore nRyd
1 5 5 0 0
# Znuc x y z
Ne 0.0 0.0 0.0