quack/examples/molecule.He

mirror of https://github.com/pfloos/quack synced 2024-06-07 05:45:29 +02:00
# nAt nEla nElb nCore nRyd
  1   1     1   0     0
# Znuc   x            y           z
  He      0.0          0.0         0.0
UHF is working 2019-03-19 11:21:34 +01:00			`# nAt nEla nElb nCore nRyd`
Done with UACFDT 2020-10-07 22:51:30 +02:00			`1 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`