Files
propka/propka/molecular_container.py
Thomas Holder 80c7bf07cd Refactor MolecularContainer.get_pi
Use bisection instead of grid search. This is ~10x faster and also fixes
pI computation for one of my files which only got single digit precision
with the old code.
2022-08-08 21:29:28 +02:00

9.0 KiB