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Bugfix: error if used in a loop and previous directories deleted. #36

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merged 1 commit into from
Oct 15, 2024
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Bugfix: error if used in a loop and previous directories deleted. #36

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4 changes: 4 additions & 0 deletions HISTORY.rst
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Original file line number Diff line number Diff line change
@@ -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.
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4 changes: 2 additions & 2 deletions psi4_step/psi4.py
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Expand Up @@ -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("")

Expand Down Expand Up @@ -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()

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