quack/input/molecule

mirror of https://github.com/pfloos/quack synced 2025-01-09 20:48:51 +01:00
# nAt nEl nCore nRyd
  1   2   0     0
# Znuc   x            y           z
  2.0      0.0          0.0         0.0
inital commit for quack 2019-02-07 22:49:12 +01:00			`# nAt nEl nCore nRyd`
cleanup done 2019-03-13 10:14:03 +01:00			`1 2 0 0`
inital commit for quack 2019-02-07 22:49:12 +01:00			`# Znuc x y z`
cleanup done 2019-03-13 10:14:03 +01:00			`2.0 0.0 0.0 0.0`