config.info

-----------------------------------------------------
|  Configuration input file for the pipeline        |
|Do not modify any NAME or FLAG in the section below|
-----------------------------------------------------
NAME                     FLAG
-------------------------------
Atom_number_range_A    = 0-116
Atom_number_range_B    = 0-116
core_MO_range          = 63-65
exc_state_range        = 1-7
soc_option             = 1
orca_output            = RWMG7_rocisdft.out
-------------------------------
Optional flags
-------------------------------
spectra_option         = 0
external_MO_file       = RWMG7_SP1.out
atm_core               = S
wave_f_type            = p
input_path             = /beegfs/desy/group/fsbig/Pipeline_test/input
output_path            = /beegfs/desy/group/fsbig/Pipeline_test/output
-------------------------------