QuAcK/examples/molecule.BH

mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
# nAt nEla nElb nCore nRyd
  2   3     3   0     0
# Znuc   x            y           z
  B     0.           0.         0.
  H     0.           0.         2.3281426
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`2 3 3 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
BSE2 debug done 2020-06-02 22:36:56 +02:00			`B 0. 0. 0.`
			`H 0. 0. 2.3281426`