quack/examples/molecule.CO

mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
# nAt nEla nElb nCore nRyd
 2   7     7   0     0
# Znuc   x            y           z
  C     0.           0.         0.
  O     0.           0.         2.134
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
eta in linear response 2020-01-23 21:22:41 +01:00			`2 7 7 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
nS 2020-01-22 09:20:18 +01:00			`C 0. 0. 0.`
BSE clean up 2020-03-11 16:41:20 +01:00			`O 0. 0. 2.134`