PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-14 10:03:47 +01:00
Code Releases Activity

add random imaginary part for complex davidson guess

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

4
src/davidson/diagonalization_hs2_dressed.irp.f
View File

@ -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