1c
2c     Print calculation information
3c     HVD, NG: 2012
4c
5      subroutine tddft_grad_print_info(luout,nroots,iroots,
6     +           nsroots,isroots,ntroots,itroots,title)
7c
8      implicit none
9c
10#include "global.fh"
11c
12c     Inputs:
13      character*(*) title      ! the job title
14c
15      integer luout            ! the output unit
16      integer nroots           ! the number of unrestricted roots
17      integer iroots(nroots)   ! the unrestricted roots
18      integer nsroots          ! the number of singlet roots
19      integer isroots(nsroots) ! the singlet roots
20      integer ntroots          ! the number of triplet roots
21      integer itroots(ntroots) ! the triplet roots
22c
23c     Local:
24c
25      integer i
26      character*32 pname
27c
28      pname="tddft_grad_print_info: "
29c
30      if (ga_nodeid().ne.0) return
31      if (title .ne. ' ') then
32        call util_print_centered(luout, title, 40, .false.)
33        write(luout,*)
34        write(luout,*)
35      endif
36      write(luout,*)'Calculated gradients of:'
37      if (nroots.gt.0) then
38        write(luout,"(' Number of Unrestricted roots ',i3)")nroots
39        write(luout,"(' Unrestricted roots ',$)")
40        do i = 1, nroots
41          write(luout,"(i4,$)")iroots(i)
42        enddo
43        write(luout,*)
44      else
45        if (nsroots+ntroots.gt.0) then
46          if (nsroots.gt.0) then
47            write(luout,"(' Number of Singlet roots ',i3)")nsroots
48            write(luout,"(' Singlet roots ',$)")
49            do i = 1, nsroots
50              write(luout,"(i4,$)")isroots(i)
51            enddo
52            write(luout,*)
53          endif
54          if (ntroots.gt.0) then
55            write(luout,"(' Number of Triplet roots ',i3)")ntroots
56            write(luout,"(' Triplet roots ',$)")
57            do i = 1, ntroots
58              write(luout,"(i4,$)")itroots(i)
59            enddo
60            write(luout,*)
61          endif
62        else
63          write(luout,*)'No roots whatsoever ...'
64        endif
65c
66      endif  ! ga_nodeid()
67c
68      end
69c $Id$
70