4
1
mirror of https://github.com/pfloos/quack synced 2025-01-03 01:56:09 +01:00
quack/input/molecule
2019-07-15 12:07:54 +02:00

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