GitLab

Continuing converting AMOEBA to the new CUDA platform: AmoebaOutOfPlaneBendForce, AmoebaStretchBendForce, AmoebaTorsionTorsionForce

Began converting AMOEBA to the new CUDA platform: AmoebaHarmonicBondForce, AmoebaHarmonicAngleForce, AmoebaHarmonicInPlaneAngleForce, AmoebaPiTorsionForce

Added AmoebaMultipoleForce::getSystemMultipoleMoments() to get system multipole moments; based on TINKER subroutine moments()

fixed problem w/ storage of PME induced dipoles

Tony's changes to error handling in the CUDA platform so it throws exceptions instead of calling exit()

Workaround for Nvidia compiler bug where compute level 1.2 processors try to compile double precision code

Removed debugging code

Check if aewald has been set; if not, then call NonbondedForceImpl::calcPMEParameters() to set aewald and grid dimensions

In Born radii calculation for particle i, removed factor of lambda associated w/ particle i