quack/examples/molecule.Be

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# nAt nEla nElb nCore nRyd
  1   3     1   0     0
# Znuc   x            y           z
  Be      0.0          0.0         0.0
UHF is working 2019-03-19 11:21:34 +01:00			`# nAt nEla nElb nCore nRyd`
S^2 for ground state OK 2020-10-03 22:16:38 +02:00			`1 3 1 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			`Be 0.0 0.0 0.0`