Skip to content

Commit

Permalink
reverting f3a82e9
Browse files Browse the repository at this point in the history
  • Loading branch information
edoapra committed Nov 12, 2024
1 parent 42625c1 commit 8abd317
Showing 1 changed file with 3 additions and 4 deletions.
7 changes: 3 additions & 4 deletions src/nwdft/lr_tddft_grad/tddft_gradient.F
Original file line number Diff line number Diff line change
Expand Up @@ -125,7 +125,6 @@ logical function tddft_gradient(rtdb)
external tddft_energy
logical oroot
logical odebug
logical oprint
c
character*32 pname
c
Expand Down Expand Up @@ -369,12 +368,12 @@ logical function tddft_gradient(rtdb)
c
c We don't need to print out the excited-state gradients in the case of VEM
c
cedo if (do_cosmo_vem.ne.0) goto 100
if (do_cosmo_vem.ne.0) goto 100
c
c <-- MN solvation models
c
c Print gradients of the excited states of interest
if (oroot.and.oprint)
if (oroot.and.odebug)
& write(luout,*) "call tddft_grad_print_result"
if (ipol.eq.2) then
call tddft_grad_print_result(ntotroots,int_mb(iptr_roots),
Expand All @@ -393,7 +392,7 @@ logical function tddft_gradient(rtdb)
c
c MN solvation models -->
c
cedo 100 continue
100 continue
c
c <-- MN solvation models
c
Expand Down

0 comments on commit 8abd317

Please sign in to comment.