Print coordinates when NaN is detected #4401
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prckent
reviewed
Jan 19, 2023
Only tested -"-vebose=debug". the print routine behaves as expected. Didn't have a way to directly trigger NaN. |
prckent
approved these changes
Jan 19, 2023
|
Test this please |
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Proposed changes
Rename expand ParticleSet::get to print and support particle count limit.
When NaN is detected, print all particle coordinates.
Also
--verbosity=debugnow prints all particle coordinates.What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
laptop
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