Merge pull request #357 from agoetz/fix-reading-heavy-elements

AWG - fix reading heavy elements
merzlab · Apr 8, 2024 · 52127db · 52127db
2 parents 3188d58 + fb91574
commit 52127db
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/modules/quick_molspec_module.f90 b/src/modules/quick_molspec_module.f90
@@ -343,7 +343,7 @@ subroutine read_quick_molspec(self,input,isTemplate, hasKeywd, apiKeywd,ierr)
        call rdword(keywd,i,j)
        if (is_blank(keywd,1,80)) exit
 
-       do k=0,71
+       do k=0,92
           if (keywd(i:j) == symbol(k)) then
              natom=natom+1
              ! check if atom type has been shown before