mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 21:03:56 +01:00
17 lines
648 B
Plaintext
17 lines
648 B
Plaintext
determinants
|
|
n_int integer
|
|
bit_kind integer
|
|
mo_label character*(64)
|
|
n_det integer
|
|
n_states integer
|
|
psi_coef double precision (determinants_n_det,determinants_n_states)
|
|
psi_det integer*8 (determinants_n_int*determinants_bit_kind/8,2,determinants_n_det)
|
|
H_apply_threshold double precision
|
|
n_det_max_jacobi integer
|
|
threshold_generators double precision
|
|
threshold_selectors double precision
|
|
det_num integer
|
|
det_occ integer (electrons_elec_alpha_num,determinants_det_num,2)
|
|
det_coef double precision (determinants_det_num)
|
|
|