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Fixed issue with parsers for substeps #6

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merged 2 commits into from
Jun 3, 2024
Merged

Fixed issue with parsers for substeps #6

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39376bb
Fixed problem with options for subflowchart.
paulsaxe Jun 3, 2024
b63f089
Fixed problem with options for subflowchart.
paulsaxe Jun 3, 2024
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8 changes: 6 additions & 2 deletions HISTORY.rst
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Original file line number Diff line number Diff line change
@@ -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
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3 changes: 3 additions & 0 deletions thermal_conductivity_step/thermal_conductivity.py
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Expand Up @@ -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)
Expand All @@ -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()
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