4
1
mirror of https://github.com/pfloos/quack synced 2024-07-12 06:13:47 +02:00
quack/examples/molecule.H2

6 lines
127 B
Plaintext

# nAt nEla nElb nCore nRyd
2 1 1 0 0
# Znuc x y z
H 0.0 0.0 0.0
H 0.0 0.0 1.4