GitLab

The QI direct space energy uses the energy functional

    U = 1/4 (E_p µ_d + E_d µ_p)

while the code it replaced uses the equivalent form

    U = 1/2 E_p µ_d

Therefore the reciprocal and self terms have been adapted to use the more symmetric form.  The bad code yielded incorrect energies when PME is used AND µ_d and µ_p are different.  The forces and torques were not affected.

Reenabled cuFFT on CUDA 7.5 or later

Fixed various bugs in CustomCentroidBondForce

Throw an exception if an illegal device or platform index is specified

Improved placement of license information in manuals

Added openmmVersion attribute to serialized XML files

Fixed compilation error with gcc

Created getPMEParametersInContext()

Created CustomCentroidBondForce

Single py2/3 codebase

Silence OSX CMake RPATH warning

Fix OpenCL Nonbonded Force on certain CPU devices

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Turn off HTML index generation in Sphinx.

Fixed an overly sensitive test case