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add random imaginary part for complex davidson guess

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This commit is contained in:
Kevin Gasperich 2020-05-13 10:57:09 -05:00
parent 655af00b9c
commit 4618e48d3a
1 changed files with 2 additions and 2 deletions
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src/davidson/diagonalization_hs2_dressed.irp.f
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@ -1061,8 +1061,8 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i
r1 = dsqrt(-2.d0*dlog(r1))
r2 = dtwo_pi*r2
!todo: real or complex? rescale for complex? sqrt(2)?
u_in(i,k) = dcmplx(r1*dcos(r2),0.d0)
!u_in(i,k) = dcmplx(r1*dcos(r2),r1*dsin(r2))
!u_in(i,k) = dcmplx(r1*dcos(r2),0.d0)
u_in(i,k) = dcmplx(r1*dcos(r2),r1*dsin(r2))
enddo
enddo
do k=1,N_st_diag