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quantum_package/src/Dets/utils.irp.f
2014-05-13 13:57:58 +02:00

16 lines
395 B
Fortran

BEGIN_PROVIDER [ double precision, H_matrix_all_dets,(n_det,n_det) ]
implicit none
BEGIN_DOC
! H matrix on the basis of the slater deter;inants defined by psi_det
END_DOC
integer :: i,j
double precision :: hij
do i =1,N_det
do j =i,N_det
call i_H_j(psi_det(1,1,i),psi_det(1,1,j),N_int,hij)
H_matrix_all_dets(i,j) = hij
H_matrix_all_dets(j,i) = hij
enddo
enddo
END_PROVIDER