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Added SVD test program

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Anthony Scemama 2015-03-20 00:15:58 +01:00
parent f4fe3c4035
commit 3205f83db0
1 changed files with 56 additions and 0 deletions
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src/Dets/det_svd.irp.f Normal file
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program det_svd
implicit none
BEGIN_DOC
! Computes the SVD of the Alpha x Beta determinant coefficient matrix
END_DOC
integer :: i,j
read_wf = .True.
TOUCH read_wf
print *, 'SVD matrix before filling'
print *, '========================='
print *, ''
print *, 'N_det = ', N_det
print *, 'N_det_alpha = ', N_det_alpha_unique
print *, 'N_det_beta = ', N_det_beta_unique
print *, ''
! do i=1,N_det_alpha_unique
! do j=1,N_det_beta_unique
! print *, i,j,psi_svd_matrix(i,j,:)
! enddo
! enddo
print *, ''
print *, 'Energy = ', ci_energy
print *, ''
print *, psi_svd_coefs(1:20,1)
call generate_all_alpha_beta_det_products
print *, ''
print *, 'Energy = ', ci_energy
print *, ''
print *, 'SVD matrix after filling'
print *, '========================'
print *, ''
print *, 'N_det = ', N_det
print *, 'N_det_alpha = ', N_det_alpha_unique
print *, 'N_det_beta = ', N_det_beta_unique
print *, ''
! do i=1,N_det_alpha_unique
! do j=1,N_det_beta_unique
! print *, i,j,psi_svd_matrix(i,j,:)
! enddo
! enddo
print *, ''
print *, 'Energy = ', ci_energy
print *, ''
print *, psi_svd_coefs(1:20,1)
! call save_wavefunction
end