quack/examples/molecule.He

mirror of https://github.com/pfloos/quack synced 2024-06-26 23:22:20 +02:00
# nAt nEl nEla nElb nCore nRyd
  1   2   1     1   0     0
# Znuc   x            y           z
  He      0.0          0.0         0.0
removing examples 2019-03-19 10:18:03 +01:00			`# nAt nEl nEla nElb nCore nRyd`
removing examples 2019-03-19 10:19:18 +01:00			`1 2 1 1 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
			`He 0.0 0.0 0.0`