GitLab

Fixed uninitialized value problem with setting box vectors.  This caused sporadic multithreading issues on Linux platforms.

Use a consistent (and more accurate) value for electric constant everywhere.  Also cleaned up handling of constants and units in various places.

Removed static variables in CudaFreeEnergyKernels.cpp
Moved declaration of global feSim to within method where actually used  in kCalculateNonbondedSoftcore.cu

windows export macro on ReferenceFreeEnergyKernelFactory, to avoid link error on TestReferenceGBVISoftcoreForce

Replace Platform::getPlatform by Platform::getPlatformByName where necessary, due to recently changed interface.

Removed cruft from Cmake file
Modified the way platform is specified in TstFreeEnergyCudaUsingParameterFile.cpp

Changed format from %u to %zu for size_t entries