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Treecodes / TABI-PB

TABI-PB (treecode-accelerated boundary integral) solves the linear Poisson-Boltzmann equation. This TABI-PB repo serves as a submodule to APBS, and also works as a standalone distribution.
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Allow user to define output file names prefixes #15

Closed jaredsagendorf closed 2 years ago

jaredsagendorf commented 2 years ago

Hello, currently TABI-PB outputs all its files with the same pre-defined prefix "output". This is bad practice because if running TABI-PI in parallel in the same directory (like on a dataset of proteins), the output files will collide with eachother.

A simple fix is to allow the user to define the prefix themselves.

lwwilson1 commented 2 years ago

This is a long-standing kludge that was just never addressed. Thanks for pointing it out. Closed with PR #17 which adds output_prefix to control naming of output files for different runs