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54 lines
1.2 KiB
Fortran
54 lines
1.2 KiB
Fortran
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subroutine h_non_hermite(v,u,Hmat,a,N_st,sze)
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implicit none
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BEGIN_DOC
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! Template of routine for the application of H
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!
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! Here, it is done with the Hamiltonian matrix
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!
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! on the set of determinants of psi_det
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!
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! Computes $v = a * H | u \rangle$
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!
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END_DOC
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integer, intent(in) :: N_st,sze
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double precision, intent(in) :: u(sze,N_st), Hmat(sze,sze), a
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double precision, intent(inout) :: v(sze,N_st)
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integer :: i,j,k
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do k = 1, N_st
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do j = 1, sze
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do i = 1, sze
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v(i,k) += a * u(j,k) * Hmat(i,j)
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enddo
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enddo
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enddo
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end
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subroutine exp_tau_H(u,v,hmat,tau,et,N_st,sze)
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implicit none
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BEGIN_DOC
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! realises v = (1 - tau (H - et)) u
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END_DOC
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integer, intent(in) :: N_st,sze
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double precision, intent(in) :: hmat(sze,sze), u(sze,N_st), tau, et
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double precision, intent(out):: v(sze,N_st)
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double precision :: a
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integer :: i,j
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v = (1.d0 + tau * et) * u
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a = -1.d0 * tau
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call h_non_hermite(v,u,Hmat,a,N_st,sze)
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end
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double precision function project_phi0(u,Hmat0,N_st,sze)
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implicit none
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integer, intent(in) :: N_st,sze
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double precision, intent(in) :: u(sze,N_st), Hmat0(sze)
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integer :: j
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project_phi0 = 0.d0
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do j = 1, sze
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project_phi0 += u(j,1) * Hmat0(j)
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enddo
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project_phi0 *= 1.d0 / u(1,1)
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end
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