4
1
mirror of https://github.com/pfloos/quack synced 2025-01-09 04:43:21 +01:00
quack/input/molecule
2020-04-16 17:02:01 +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