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PKua007 / rampack

Random And Maximal PACKing PACKage
Boost Software License 1.0
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RAMSNAP diverging from RAMTRJ on error #44

Closed PKua007 closed 1 year ago

PKua007 commented 1 year ago

When the exception is thrown, RAMTRJ recording is finalized and closed, however ramsnap file is not saved and it may result in divergence. Either the ramsnap file should also be stored, or the appropriate error message should be shown (instructing how to use the trajectory mode to fix the RAMSNAP file).

PKua007 commented 1 year ago

The best way to resolve it more generally is to validate coherence of all output data: RAMTRJ, XYZ recording, RAMSNAP and observable snapshots at the start of the simulation to ensure that none of them diverged.