QuAcK/examples/molecule.CO

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# nAt nEla nElb nCore nRyd
 2   7     7   0     0
# Znuc   x            y           z
  C     0.           0.         0.
  O     0.           0.         2.106
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
eta in linear response 2020-01-23 21:22:41 +01:00			`2 7 7 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
nS 2020-01-22 09:20:18 +01:00			`C 0. 0. 0.`
QP solutions 2020-02-12 12:25:24 +01:00			`O 0. 0. 2.106`