├── .gitignore ├── CMakeLists.txt ├── LICENSE ├── README.md ├── doc └── Doxyfile ├── example ├── abfe │ ├── abfe.py │ ├── temoa-g1-equil.xml │ ├── temoa-g1.inpcrd │ └── temoa-g1.prmtop ├── rbfe │ ├── rbfe.py │ ├── temoa-g1-g4-equil.xml │ ├── temoa-g1-g4.inpcrd │ └── temoa-g1-g4.prmtop └── runopenmm ├── openmmapi ├── include │ ├── ATMMetaForce.h │ ├── ATMMetaForceKernels.h │ ├── ATMMetaForceVersion.h │ └── internal │ │ ├── ATMMetaForceImpl.h │ │ └── windowsExportATMMetaForce.h └── src │ ├── ATMMetaForce.cpp │ ├── ATMMetaForceImpl.cpp │ └── ATMMetaForceKernels.cpp ├── platforms ├── common │ ├── CMakeLists.txt │ ├── EncodeKernelFiles.cmake │ ├── include │ │ └── CommonATMMetaForceKernels.h │ └── src │ │ ├── CommonATMMetaForceKernelSources.cpp.in │ │ ├── CommonATMMetaForceKernelSources.h.in │ │ ├── CommonATMMetaForceKernels.cpp │ │ └── kernels │ │ └── atmmetaforce.cc ├── cuda │ ├── CMakeLists.txt │ ├── include │ │ ├── CudaATMMetaForceKernelFactory.h │ │ └── CudaATMMetaForceKernels.h │ └── src │ │ └── CudaATMMetaForceKernelFactory.cpp ├── hip │ ├── CMakeLists.txt │ ├── include │ │ ├── HipATMMetaForceKernelFactory.h │ │ └── HipATMMetaForceKernels.h │ └── src │ │ └── HipATMMetaForceKernelFactory.cpp ├── opencl │ ├── CMakeLists.txt │ ├── EncodeCLFiles.cmake │ ├── include │ │ ├── OpenCLATMMetaForceKernelFactory.h │ │ ├── OpenCLATMMetaForceKernels.h │ │ └── cl.hpp │ └── src │ │ └── OpenCLATMMetaForceKernelFactory.cpp └── reference │ ├── CMakeLists.txt │ ├── include │ ├── ReferenceATMMetaForceKernelFactory.h │ └── ReferenceATMMetaForceKernels.h │ └── src │ ├── ReferenceATMMetaForceKernelFactory.cpp │ └── ReferenceATMMetaForceKernels.cpp ├── python ├── ATMMetaForceUtils.py ├── CMakeLists.txt ├── atmmetaforceplugin.i ├── setup.py └── tests │ ├── temoa-g1-equil.xml │ ├── temoa-g1.inpcrd │ ├── temoa-g1.prmtop │ └── test_abfe.py └── serialization ├── CMakeLists.txt ├── include └── ATMMetaForceProxy.h ├── src ├── ATMMetaForceProxy.cpp └── SerializationProxyRegistration.cpp └── tests 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