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Exception raised when attempting successive checkpoint restarts #113

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merged 10 commits into from
Nov 12, 2024

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@emarinri emarinri commented Nov 10, 2024

When successive simulation restarts where attempted, an exception was raised due to the expectation of a comment line two lines after the '# Start Type' keyword in the input file. This was problematic in the GEMC ensemble, that has two boxes.

The current fix replaces non-comment lines with empty strings in lines between the 'checkpoint' line and the next Cassandra keyword '# Start_Type'.

Additionally, tests that used GMSO Topology objects are skipped for now until the full functionality is implemented.

@emarinri emarinri changed the title Exception raised when attempting successive checkpointing restarts Exception raised when attempting successive checkpoint restarts Nov 10, 2024
@emarinri emarinri merged commit 2b6649a into MaginnGroup:master Nov 12, 2024
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@emarinri emarinri deleted the multiple-restart branch November 12, 2024 18:44
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