quack/examples/molecule.HCl

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# nAt nEla nElb nCore nRyd
 2   9     9   10     0
# Znuc   x            y           z
  H     0.           0.         0.
  Cl    0.           0.         3.4
examples 2020-01-17 17:35:40 +01:00			`# nAt nEla nElb nCore nRyd`
nS 2020-01-22 09:20:18 +01:00			`2 9 9 10 0`
examples 2020-01-17 17:35:40 +01:00			`# Znuc x y z`
			`H 0. 0. 0.`
			`Cl 0. 0. 3.4`