GitLab

Barostats use checkpointed random number generator

Support all values of NBXMod in CHARMM parameter files

Minor code cleanup to reference platform

Fixed compilation error introduced by #2378

Added the W-H combining rule for AMOEBA+ VdW

Added max step size option to variable step size integrators

Add Softcore support to AmoebaVdwForce.

Enable docker for GPU builds

Improve the performance of sending the AmoebaVdwLambda to Cuda using pinned host memory; Updated the AmoebaVdwForceProxy to version 3, and added backward compatibility to version 2; updated TestAPIUnits.py to handle the per particle lambda flag

Force generators that don't use PME still accept it as a nonbonded method

changed the type of the isAlchemical Cuda array to float, which is needed for the CudaNonbondedUtilities.addParameter method to work; the TestCudaAmoebaVdwForce now passes for its current set of tests, but new tests are needed to check the softcore behavior