mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-25 05:43:47 +01:00
24 lines
607 B
Plaintext
24 lines
607 B
Plaintext
cis_dressed
|
|
n_state_cis 10
|
|
n_core_cis 0
|
|
n_act_cis mo_basis_mo_tot_num
|
|
mp2_dressing false
|
|
standard_doubles True
|
|
en_2_2 false
|
|
|
|
cas_sd
|
|
n_det_max_cas_sd 100000
|
|
pt2_max 1.e-4
|
|
do_pt2_end True
|
|
var_pt2_ratio 0.75
|
|
|
|
all_singles
|
|
n_det_max_fci 50000
|
|
pt2_max 1.e-8
|
|
do_pt2_end false
|
|
|
|
cassd
|
|
n_det_max_cassd 10000
|
|
pt2_max 1.e-4
|
|
do_pt2_end True
|