QuAcK/input/molecule

mirror of https://github.com/pfloos/quack synced 2025-01-03 18:16:03 +01:00
# nAt nEla nElb nCore nRyd
 1   1     0   0     0
# Znuc   x            y           z
  H     0.           0.         0.
singlet and triplet G0T0 2019-10-20 08:18:58 +02:00			`# nAt nEla nElb nCore nRyd`
clean up unrestricted code for one electron 2020-09-25 15:05:06 +02:00			`1 1 0 0 0`
inital commit for quack 2019-02-07 22:49:12 +01:00			`# Znuc x y z`
clean up unrestricted code for one electron 2020-09-25 15:05:06 +02:00			`H 0. 0. 0.`