Merge pull request #36 from molssi-seamm/dev

Bugfix: error if used in a loop and previous directories deleted.
molssi-seamm · Oct 15, 2024 · 425f60e · 425f60e
2 parents b65c17d + aa99764
commit 425f60e
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Showing 2 changed files with 6 additions and 2 deletions.
diff --git a/HISTORY.rst b/HISTORY.rst
@@ -1,6 +1,10 @@
 =======
 History
 =======
+2024.10.15 -- Bugfix: error if used in a loop and previous directories deleted.
+   * The code crashed if called with a loop in the flowchart, and the last directory of
+     a previous loop iteration was deleted before running the next iteration.
+
 2024.10.5 -- Enhancements and bug fixes for thermochemistry
    * Improved GUI for thermochemistry so that it automatically recognizes whether it is
      after e.g. an optimization and configures appropriately.

diff --git a/psi4_step/psi4.py b/psi4_step/psi4.py
@@ -268,6 +268,8 @@ def run(self):
             The next node object in the flowchart.
 
         """
+        next_node = super().run(printer)
+
         printer.important(self.header)
         printer.important("")
 
@@ -346,8 +348,6 @@ def run(self):
         # Work through the subflowchart to find out what to do.
         self.subflowchart.root_directory = self.flowchart.root_directory
 
-        next_node = super().run(printer)
-
         # Get the first real node
         node0 = self.subflowchart.get_node("1").next()