quack/examples/molecule.N2

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# nAt nEla nElb nCore nRyd
  2   7    7    0     0
# Znuc   x            y           z
  N     0.           0.          0.
  N     0.           0.          2.2
huckel guess 2019-09-20 22:28:01 +02:00			`# nAt nEla nElb nCore nRyd`
script for scan 2019-09-22 22:22:52 +02:00			`2 7 7 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
huckel guess 2019-09-20 22:28:01 +02:00			`N 0. 0. 0.`
eta parameter 2019-09-22 21:15:53 +02:00			`N 0. 0. 2.2`