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complex diagonalize_h

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This commit is contained in:
Kevin Gasperich 2020-07-10 14:07:30 -05:00
parent 4349e13c93
commit 46fcc0116f
1 changed files with 6 additions and 2 deletions
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8
src/tools/diagonalize_h.irp.f
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@ -17,7 +17,11 @@ end
subroutine routine subroutine routine
implicit none implicit none
call diagonalize_CI call diagonalize_ci
print*,'N_det = ',N_det print*,'N_det = ',N_det
call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted) if (is_complex) then
call save_wavefunction_general_complex(N_det,N_states,psi_det_sorted,size(psi_coef_sorted_complex,1),psi_coef_sorted_complex)
else
call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)
endif
end end