mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-26 22:33:57 +01:00
27 lines
529 B
Fortran
27 lines
529 B
Fortran
program diag_and_save
|
|
implicit none
|
|
read_wf = .True.
|
|
touch read_wf
|
|
call routine
|
|
end
|
|
|
|
subroutine routine
|
|
implicit none
|
|
print*,'N_det = ',N_det
|
|
call diagonalize_CI
|
|
write(*,*)'Which state would you like to save ?'
|
|
integer :: igood_state
|
|
read(5,*)igood_state
|
|
double precision, allocatable :: psi_coef_tmp(:)
|
|
allocate(psi_coef_tmp(n_det))
|
|
integer :: i
|
|
do i = 1, N_det
|
|
psi_coef_tmp(i) = psi_coef(i,igood_state)
|
|
enddo
|
|
call save_wavefunction_general(N_det,1,psi_det,n_det,psi_coef_tmp)
|
|
deallocate(psi_coef_tmp)
|
|
|
|
|
|
|
|
end
|