4
1
mirror of https://github.com/pfloos/quack synced 2024-06-15 01:35:29 +02:00
quack/input/molecule

5 lines
126 B
Plaintext

# nAt nEla nElb nCore nRyd
1 2 2 0 0
# Znuc x y z
Be 0.0 0.0 0.0