Added some error messages

grimme-lab · Mar 16, 2022 · cae9f75 · cae9f75
1 parent 6540f38
commit cae9f75
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/orca4wb97x3c.f b/orca4wb97x3c.f
@@ -406,6 +406,9 @@ subroutine rdbas
           inquire(file=basisfilename,exist=da2)
           if(da2)then
               open(unit=44,file=basisfilename)
+          else
+              write(*,*) "~/.basis_vDZP file in $HOME is missing!"
+              error stop "I/O error stop."
           endif
       endif
  10   read(44,'(a)',end=20) atmp