10
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
QuAcK/examples/molecule.B+

5 lines
113 B
Plaintext

# nAt nEl nCore nRyd
1 4 0 0
# Znuc x y z
5. 0.0 0.0 0.0