quack/examples/molecule.H2O

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# nAt nEla nElb nCore nRyd
  3   5     5   0     0
# Znuc   x            y           z
  O      0.           0.          -0.13209669
  H      0.           1.43152878 0.97970006
  H      0.          -1.43152878 0.97970006
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`3 5 5 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
dynamic screening in BSE 2020-04-23 23:13:15 +02:00			`O 0. 0. -0.13209669`
			`H 0. 1.43152878 0.97970006`
			`H 0. -1.43152878 0.97970006`