Amber-MD / pytraj

Python interface of cpptraj
https://amber-md.github.io/pytraj
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Fix memory leak on topology mask selection #1617

Closed hichiaty closed 1 year ago

hichiaty commented 1 year ago

Had a little look at the memory leak bug Amber-MD/pytraj#1615 as it was also annoying me.

Needed to delete the newParm pointer created by cpptraj after assignment as it remained on the heap. Not sure if this is the best way to handle it but it fixes the memory leak.

hainm commented 1 year ago

Dear @hichiaty

Thank you very much for your PR. Sorry for my late reply. I did not get any notification sent to my email so I was not aware of your PR.