mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-19 03:42:21 +01:00
35 lines
850 B
Fortran
35 lines
850 B
Fortran
|
use bitmasks
|
||
|
|
|
||
|
|
BEGIN_PROVIDER [ integer, psi_selectors_size ]
|
||
|
|
implicit none
|
||
|
|
psi_selectors_size = psi_det_size
|
||
|
|
END_PROVIDER
|
||
|
|
|
||
|
|
BEGIN_PROVIDER [ double precision, psi_selectors_coef_transp, (N_states,psi_selectors_size) ]
|
||
|
|
implicit none
|
||
|
|
BEGIN_DOC
|
||
|
|
! Transposed psi_selectors
|
||
|
|
END_DOC
|
||
|
|
integer :: i,k
|
||
|
|
|
||
|
|
do i=1,N_det_selectors
|
||
|
|
do k=1,N_states
|
||
|
|
psi_selectors_coef_transp(k,i) = psi_selectors_coef(i,k)
|
||
|
|
enddo
|
||
|
|
enddo
|
||
|
|
END_PROVIDER
|
||
|
|
|
||
|
|
BEGIN_PROVIDER [ double precision, psi_selectors_diag_h_mat, (psi_selectors_size) ]
|
||
|
|
implicit none
|
||
|
|
BEGIN_DOC
|
||
|
|
! Diagonal elements of the H matrix for each selectors
|
||
|
|
END_DOC
|
||
|
|
integer :: i
|
||
|
|
double precision :: diag_H_mat_elem
|
||
|
|
do i = 1, N_det_selectors
|
||
|
|
psi_selectors_diag_h_mat(i) = diag_H_mat_elem(psi_selectors(1,1,i),N_int)
|
||
|
|
enddo
|
||
|
|
END_PROVIDER
|
||
|
|
|
||
|
|
|