GitLab

Added step limit for LocalEnergyMinimizer in Modeller.addHydrogens() to prevent hangs with bad structures.

Add CheckpointReporter

Fixed some bugs in addExtraParticles() that affect the CHARMM polarizable force field

Fixed a potential divide by zero

loadCheckpoint/createCheckpoint should use bytes

Fixed compilation errors on Windows, plus an error in a test case

Created an optimized CPU implementation of CustomNonbondedForce

Created RPMDIntegrator::getTotalEnergy()

Fixed compilation errors on Windows

Fix Travis-CI

AMOEBA No Quadrupole Optimization

Added option to explicitly set PME parameters

Cant get python build with fsanitize=address

Rerun failing tests

Remove the runtime error

whoops typo

didn't mean to commit that...