missed ga_destroy for 2d DM

nwchemgit · Aug 2, 2023 · ccf6a5a · ccf6a5a
1 parent 7bf4517
commit ccf6a5a
Showing 1 changed file with 7 additions and 0 deletions.
diff --git a/src/nwdft/lr_tddft_grad/tddft_grad_compute_g.F b/src/nwdft/lr_tddft_grad/tddft_grad_compute_g.F
@@ -1391,6 +1391,13 @@ subroutine tddft_grad_compute_g(rtdb,ihdl_geom,ihdl_bfao,tda,nat,
       if (.not.ga_destroy(g_rhs_xc(1))) 
      +  call errquit(pname//"could not destroy g_rhs_xc",0,GA_ERR)
 c
+      if (xc_gotxc().and.(.not.dm3d)) then
+        do ip = 1, 2*ipol
+          if (.not.ga_destroy(g_dtmp(ip)))
+     1      call errquit(pname//"could not destroy g_dtmp_ao", 0,
+     2        GA_ERR) 
+        enddo
+      endif
 c
       do ip = 1, ipol
         if (.not.ga_destroy(g_d(0+ip)))