PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-01-08 20:33:20 +01:00
Code Releases Activity

complex diagonalize_h

Browse Source
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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
src/tools/diagonalize_h.irp.f
View File

@ -17,7 +17,11 @@ end
subroutine routine
implicit none
call diagonalize_CI
call diagonalize_ci
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