10
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:34:46 +01:00
QuAcK/input/molecule

5 lines
112 B
Plaintext

# nAt nEl nCore nRyd
1 10 0 0
# Znuc x y z
Ne 0.0 0.0 0.0