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minor changes

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This commit is contained in:
Kevin Gasperich 2020-02-24 11:34:52 -06:00
parent 0ba82990ff
commit 7db223f6f3
2 changed files with 3 additions and 3 deletions
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2
src/determinants/density_matrix_complex.irp.f
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@ -106,7 +106,7 @@ END_PROVIDER
complex*16, allocatable :: tmp_a(:,:,:), tmp_b(:,:,:) complex*16, allocatable :: tmp_a(:,:,:), tmp_b(:,:,:)
integer :: krow, kcol, lrow, lcol integer :: krow, kcol, lrow, lcol
PROVIDE psi_det PROVIDE psi_det psi_coef_complex
one_e_dm_mo_alpha_complex = (0.d0,0.d0) one_e_dm_mo_alpha_complex = (0.d0,0.d0)
one_e_dm_mo_beta_complex = (0.d0,0.d0) one_e_dm_mo_beta_complex = (0.d0,0.d0)

4
src/determinants/determinants_complex.irp.f
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@ -15,9 +15,9 @@ BEGIN_PROVIDER [ complex*16, psi_coef_complex, (psi_det_size,N_states) ]
character*(64) :: label character*(64) :: label
PROVIDE read_wf N_det mo_label ezfio_filename PROVIDE read_wf N_det mo_label ezfio_filename
psi_coef = (0.d0,0.d0) psi_coef_complex = (0.d0,0.d0)
do i=1,min(N_states,psi_det_size) do i=1,min(N_states,psi_det_size)
psi_coef(i,i) = (1.d0,0.d0) psi_coef_complex(i,i) = (1.d0,0.d0)
enddo enddo
if (mpi_master) then if (mpi_master) then