Add missing solvation contribution for the inner region (#673)

grimme-lab · Jul 29, 2022 · 1922dd3 · 1922dd3
1 parent 9096eee
commit 1922dd3
Showing 1 changed file with 8 additions and 0 deletions.
diff --git a/src/oniom.f90 b/src/oniom.f90
@@ -257,6 +257,10 @@ subroutine singlepoint(self, env, mol, chk, printlevel, restart, energy, gradien
          call move_alloc(gff, self%model_low)
 
       end select
+
+      if (allocated(self%real_low%solvation)) then
+         self%model_low%solvation = self%real_low%solvation
+      end if
       call env%check(exitRun)
       if (exitRun) then
          call env%error("Could not setup low level method")
@@ -300,6 +304,10 @@ subroutine singlepoint(self, env, mol, chk, printlevel, restart, energy, gradien
          call move_alloc(turbo, self%model_high)
 
       end select
+
+      if (allocated(self%real_low%solvation)) then
+         self%model_high%solvation = self%real_low%solvation
+      end if
       call env%check(exitRun)
       if (exitRun) then
          call env%error("Could not setup high level method")