davidson_undressed

Module for main files Davidson’s algorithm with no dressing.

Providers

dressing_column_h

File : davidson_undressed/null_dressing_vector.irp.f

double precision, allocatable   :: dressing_column_h    (N_det,N_states)
double precision, allocatable   :: dressing_column_s    (N_det,N_states)

Null dressing vectors

Needs:

  • n_det

  • n_states

Needed by:

  • ci_electronic_energy

dressing_column_s

File : davidson_undressed/null_dressing_vector.irp.f

double precision, allocatable   :: dressing_column_h    (N_det,N_states)
double precision, allocatable   :: dressing_column_s    (N_det,N_states)

Null dressing vectors

Needs:

  • n_det

  • n_states

Needed by:

  • ci_electronic_energy