add description of xtbtopo.mol

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
grimme-lab · Jan 17, 2024 · 391daf2 · 391daf2
1 parent 0fb151d
commit 391daf2
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/man/xtb.1.adoc b/man/xtb.1.adoc
@@ -268,7 +268,7 @@ GENERAL
      clutter the screen less (not supported in every unit)
 
 *--ceasefiles*::
-     reduce the amount of output and files written
+     reduce the amount of output and files written (e.g. xtbtopo.mol)
 
 *--strict*::
      turns all warnings into hard errors
@@ -345,6 +345,9 @@ OUTPUT
 *hessian*::
    contains the (not mass weighted) cartesian Hessian, *--namespace* compatible.
 
+*xtbtopo.mol*::
+   topology information written in molfile format.
+
 *xtbopt.xyz*, *xtbopt.coord*::
    optimized geometry in the same format as the input geometry.