quack/examples/molecule.sph

mirror of https://github.com/pfloos/quack synced 2024-07-12 06:13:47 +02:00
# nAt nEla nElb nCore nRyd
  1   16     16   0     0
# Znuc   x            y           z
  X      0.0          0.0         0.0
IntPak read geom fixed 2019-03-31 22:28:04 +02:00			`# nAt nEla nElb nCore nRyd`
cleanup excitation_energy 2019-04-02 09:59:30 +02:00			`1 16 16 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
IntPak read geom fixed 2019-03-31 22:28:04 +02:00			`X 0.0 0.0 0.0`