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tsoc
openmm
Commits
a3bbd5aa
Commit
a3bbd5aa
authored
Nov 05, 2011
by
Mark Friedrichs
Browse files
Remove commented out declarations
parent
0a55d72f
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plugins/amoeba/platforms/cuda/src/kernels/amoebaGpuTypes.h
plugins/amoeba/platforms/cuda/src/kernels/amoebaGpuTypes.h
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plugins/amoeba/platforms/cuda/src/kernels/amoebaGpuTypes.h
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a3bbd5aa
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@@ -326,98 +326,4 @@ void gpuSetAmoebaBondOffsets(amoebaGpuContext gpu);
extern
"C"
void
gpuCopyWorkUnit
(
amoebaGpuContext
gpu
);
/*
extern "C"
void gpuSetDihedralParameters(gpuContext gpu, const std::vector<int>& atom1, const std::vector<int>& atom2, const std::vector<int>& atom3, const std::vector<int>& atom4,
const std::vector<float>& k, const std::vector<float>& phase, const std::vector<int>& periodicity);
extern "C"
void gpuSetRbDihedralParameters(gpuContext gpu, const std::vector<int>& atom1, const std::vector<int>& atom2, const std::vector<int>& atom3, const std::vector<int>& atom4,
const std::vector<float>& c0, const std::vector<float>& c1, const std::vector<float>& c2, const std::vector<float>& c3, const std::vector<float>& c4, const std::vector<float>& c5);
extern "C"
void gpuSetLJ14Parameters(gpuContext gpu, float epsfac, float fudge, const std::vector<int>& atom1, const std::vector<int>& atom2,
const std::vector<float>& c6, const std::vector<float>& c12, const std::vector<float>& q1, const std::vector<float>& q2);
extern "C"
void gpuSetCoulombParameters(gpuContext gpu, float epsfac, const std::vector<int>& atom, const std::vector<float>& c6, const std::vector<float>& c12, const std::vector<float>& q,
const std::vector<char>& symbol, const std::vector<std::vector<int> >& exclusions, CudaNonbondedMethod method);
extern "C"
void gpuSetNonbondedCutoff(gpuContext gpu, float cutoffDistance, float solventDielectric);
extern "C"
void gpuSetTabulatedFunction(gpuContext gpu, int index, const std::string& name, const std::vector<double>& values, double min, double max, bool interpolating);
extern "C"
void gpuSetCustomNonbondedParameters(gpuContext gpu, const std::vector<std::vector<double> >& parameters, const std::vector<std::vector<int> >& exclusions,
const std::vector<int>& exceptionAtom1, const std::vector<int>& exceptionAtom2, const std::vector<std::vector<double> >& exceptionParams,
CudaNonbondedMethod method, float cutoffDistance, const std::string& energyExp, const std::vector<std::string>& combiningRules,
const std::vector<std::string>& paramNames, const std::vector<std::string>& globalParamNames);
extern "C"
void gpuSetEwaldParameters(gpuContext gpu, float alpha, int kmaxx, int kmaxy, int kmaxz);
extern "C"
void gpuSetPMEParameters(gpuContext gpu, float alpha);
extern "C"
void gpuSetPeriodicBoxSize(gpuContext gpu, float xsize, float ysize, float zsize);
extern "C"
void gpuSetObcParameters(gpuContext gpu, float innerDielectric, float solventDielectric, const std::vector<float>& radius, const std::vector<float>& scale, const std::vector<float>& charge);
extern "C"
void gpuSetConstraintParameters(gpuContext gpu, const std::vector<int>& atom1, const std::vector<int>& atom2, const std::vector<float>& distance,
const std::vector<float>& invMass1, const std::vector<float>& invMass2, float constraintTolerance);
extern "C"
int gpuAllocateInitialBuffers(gpuContext gpu);
extern "C"
void gpuSetPositions(gpuContext gpu, const std::vector<float>& x, const std::vector<float>& y, const std::vector<float>& z);
extern "C"
void gpuSetVelocities(gpuContext gpu, const std::vector<float>& x, const std::vector<float>& y, const std::vector<float>& z);
extern "C"
void gpuSetMass(gpuContext gpu, const std::vector<float>& mass);
extern "C"
void gpuInitializeRandoms(gpuContext gpu);
extern "C"
void* gpuInit(int numAtoms, unsigned int device = 0, bool useBlockingSync = false);
extern "C"
void gpuSetLangevinIntegrationParameters(gpuContext gpu, float tau, float deltaT, float temperature, float errorTol);
extern "C"
void gpuSetVerletIntegrationParameters(gpuContext gpu, float deltaT, float errorTol);
extern "C"
void gpuSetBrownianIntegrationParameters(gpuContext gpu, float tau, float deltaT, float temperature);
extern "C"
void gpuSetAndersenThermostatParameters(gpuContext gpu, float temperature, float collisionFrequency);
extern "C"
void gpuShutDown(gpuContext gpu);
extern "C"
int gpuBuildOutputBuffers(gpuContext gpu);
extern "C"
int gpuBuildThreadBlockWorkList(gpuContext gpu);
extern "C"
void gpuBuildExclusionList(gpuContext gpu);
extern "C"
int gpuSetConstants(gpuContext gpu);
extern "C"
void gpuReorderAtoms(gpuContext gpu);
*/
#endif //__AMOEBA_GPUTYPES_H__
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