8000 Match tleap by ensuring parm{10|99|15}.dat are loaded no more than once by murfalo · Pull Request #1353 · ParmEd/ParmEd · GitHub
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Match tleap by ensuring parm{10|99|15}.dat are loaded no more than once #1353

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merged 1 commit into from
Jun 24, 2024

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murfalo
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@murfalo murfalo commented Jun 6, 2024

Fixes #1352

"parm10.dat": False,
"parm99.dat": False,
"parm15": False,
}
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Should we do this with every file?

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@murfalo murfalo Jun 6, 2024

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Looking at the Amber source code, it seems like all files other than parm10.dat, parm99.dat, and those with names starting with "parm15" will be reloaded when loaded more than once. I think it would be safest to match Amber, in case any of its distributed leaprcs rely on that behavior.

@swails swails merged commit b1c50b5 into ParmEd:master Jun 24, 2024
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Successfully merging this pull request may close these issues.

Loading multiple leaprcs can lead to incorrect parameters due to repeat loading of parm99.dat, parm10.dat, and/or parm15.dat
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