Merge pull request #6 from molssi-seamm/dev

Fixed issue with parsers for substeps

HISTORY.rst

@@ -1,11 +1,15 @@
 =======
 History
 =======
-2024.3.22 -- Updated for new scheme for running background jobs.
+2024.6.3 -- Bugfix: handling of options for subflowchart
+    * Fixed a bug where the options for the subflowchart were not being parsed
+      correctly.
+
+2024.3.22 -- Updated for new scheme for running background tasks.
 
 2024.1.5 -- Bugfix: Thermal conductivity
     * If the Helfand moments fit in the thermal conductivity step failed it stopped the
-      entire job. This is correct, as well as some of the undelying causes for
+      entire job. This is fixed, as well as some of the underlying causes for
       convergence issues.
 
 2023.5.29 -- Converged with general approach for trajectory analysis

thermal_conductivity_step/thermal_conductivity.py

@@ -189,6 +189,8 @@ def create_parser(self):
         parser_name = "thermal-conductivity-step"
         parser = seamm_util.getParser()
 
+        self.subflowchart._parser = self.flowchart._parser
+
         # Remember if the parser exists ... this type of step may have been
         # found before
         parser_exists = parser.exists(parser_name)
@@ -206,6 +208,7 @@ def create_parser(self):
             )
 
         # Now need to walk through the steps in the subflowchart...
+        self.subflowchart.reset_visited()
         node = self.subflowchart.get_node("1").next()
         while node is not None:
             node = node.create_parser()