quack/examples/molecule.F2

mirror of https://github.com/pfloos/quack synced 2024-06-26 23:22:20 +02:00
# nAt nEl nCore nRyd
  2   9   9  0      0
# Znuc   x            y           z
  F     0.           0.          0.000
  F     0.           0.          2.68454493
removing examples 2019-03-19 10:18:03 +01:00			`# nAt nEl nCore nRyd`
T matrix might be working 2019-10-17 22:07:41 +02:00			`2 9 9 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
T matrix might be working 2019-10-17 22:07:41 +02:00			`F 0. 0. 0.000`
G0T0 bug and clean up 2019-10-18 23:16:37 +02:00			`F 0. 0. 2.68454493`