Skip to content

GitLab

"wrappers/python/src/vscode:/vscode.git/clone" did not exist on "ae2fe2fd7db2aae4c5c39fadcee328c6d5bc607d"
Commit 109a83de authored by Frazer Leslie Clews's avatar Frazer Leslie Clews
Browse files

make std::string pass as references, not values

parent 41d061dd
Hide whitespace changes
Inline Side-by-side
Showing with 65 additions and 65 deletions
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
View file @ 109a83de
...@@ -88,7 +88,7 @@ private: ...@@ -88,7 +88,7 @@ private:
const AmoebaBondForce& force; const AmoebaBondForce& force;
}; };
CudaCalcAmoebaBondForceKernel::CudaCalcAmoebaBondForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaBondForceKernel::CudaCalcAmoebaBondForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaBondForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaBondForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -180,7 +180,7 @@ private: ...@@ -180,7 +180,7 @@ private:
const AmoebaAngleForce& force; const AmoebaAngleForce& force;
}; };
CudaCalcAmoebaAngleForceKernel::CudaCalcAmoebaAngleForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaAngleForceKernel::CudaCalcAmoebaAngleForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaAngleForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaAngleForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -276,7 +276,7 @@ private: ...@@ -276,7 +276,7 @@ private:
const AmoebaInPlaneAngleForce& force; const AmoebaInPlaneAngleForce& force;
}; };
CudaCalcAmoebaInPlaneAngleForceKernel::CudaCalcAmoebaInPlaneAngleForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaInPlaneAngleForceKernel::CudaCalcAmoebaInPlaneAngleForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaInPlaneAngleForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaInPlaneAngleForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -373,7 +373,7 @@ private: ...@@ -373,7 +373,7 @@ private:
const AmoebaPiTorsionForce& force; const AmoebaPiTorsionForce& force;
}; };
CudaCalcAmoebaPiTorsionForceKernel::CudaCalcAmoebaPiTorsionForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaPiTorsionForceKernel::CudaCalcAmoebaPiTorsionForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaPiTorsionForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaPiTorsionForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -462,7 +462,7 @@ private: ...@@ -462,7 +462,7 @@ private:
const AmoebaStretchBendForce& force; const AmoebaStretchBendForce& force;
}; };
CudaCalcAmoebaStretchBendForceKernel::CudaCalcAmoebaStretchBendForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaStretchBendForceKernel::CudaCalcAmoebaStretchBendForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaStretchBendForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaStretchBendForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -561,7 +561,7 @@ private: ...@@ -561,7 +561,7 @@ private:
const AmoebaOutOfPlaneBendForce& force; const AmoebaOutOfPlaneBendForce& force;
}; };
CudaCalcAmoebaOutOfPlaneBendForceKernel::CudaCalcAmoebaOutOfPlaneBendForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaOutOfPlaneBendForceKernel::CudaCalcAmoebaOutOfPlaneBendForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaOutOfPlaneBendForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaOutOfPlaneBendForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -656,7 +656,7 @@ private: ...@@ -656,7 +656,7 @@ private:
const AmoebaTorsionTorsionForce& force; const AmoebaTorsionTorsionForce& force;
}; };
CudaCalcAmoebaTorsionTorsionForceKernel::CudaCalcAmoebaTorsionTorsionForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaTorsionTorsionForceKernel::CudaCalcAmoebaTorsionTorsionForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaTorsionTorsionForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaTorsionTorsionForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -763,7 +763,7 @@ private: ...@@ -763,7 +763,7 @@ private:
const AmoebaMultipoleForce& force; const AmoebaMultipoleForce& force;
}; };
CudaCalcAmoebaMultipoleForceKernel::CudaCalcAmoebaMultipoleForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaMultipoleForceKernel::CudaCalcAmoebaMultipoleForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaMultipoleForceKernel(name, platform), cu(cu), system(system), hasInitializedScaleFactors(false), hasInitializedFFT(false), multipolesAreValid(false), hasCreatedEvent(false), CalcAmoebaMultipoleForceKernel(name, platform), cu(cu), system(system), hasInitializedScaleFactors(false), hasInitializedFFT(false), multipolesAreValid(false), hasCreatedEvent(false),
gkKernel(NULL) { gkKernel(NULL) {
} }
...@@ -2119,7 +2119,7 @@ private: ...@@ -2119,7 +2119,7 @@ private:
const AmoebaGeneralizedKirkwoodForce& force; const AmoebaGeneralizedKirkwoodForce& force;
}; };
CudaCalcAmoebaGeneralizedKirkwoodForceKernel::CudaCalcAmoebaGeneralizedKirkwoodForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaGeneralizedKirkwoodForceKernel::CudaCalcAmoebaGeneralizedKirkwoodForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaGeneralizedKirkwoodForceKernel(name, platform), cu(cu), system(system), hasInitializedKernels(false) { CalcAmoebaGeneralizedKirkwoodForceKernel(name, platform), cu(cu), system(system), hasInitializedKernels(false) {
} }
...@@ -2352,7 +2352,7 @@ private: ...@@ -2352,7 +2352,7 @@ private:
const AmoebaVdwForce& force; const AmoebaVdwForce& force;
}; };
CudaCalcAmoebaVdwForceKernel::CudaCalcAmoebaVdwForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaVdwForceKernel::CudaCalcAmoebaVdwForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaVdwForceKernel(name, platform), cu(cu), system(system), hasInitializedNonbonded(false), nonbonded(NULL), vdwLambdaPinnedBuffer(NULL) { CalcAmoebaVdwForceKernel(name, platform), cu(cu), system(system), hasInitializedNonbonded(false), nonbonded(NULL), vdwLambdaPinnedBuffer(NULL) {
} }
...@@ -2556,7 +2556,7 @@ private: ...@@ -2556,7 +2556,7 @@ private:
const AmoebaWcaDispersionForce& force; const AmoebaWcaDispersionForce& force;
}; };
CudaCalcAmoebaWcaDispersionForceKernel::CudaCalcAmoebaWcaDispersionForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcAmoebaWcaDispersionForceKernel::CudaCalcAmoebaWcaDispersionForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcAmoebaWcaDispersionForceKernel(name, platform), cu(cu), system(system) { CalcAmoebaWcaDispersionForceKernel(name, platform), cu(cu), system(system) {
} }
...@@ -2699,7 +2699,7 @@ private: ...@@ -2699,7 +2699,7 @@ private:
CudaCalcHippoNonbondedForceKernel& owner; CudaCalcHippoNonbondedForceKernel& owner;
}; };
CudaCalcHippoNonbondedForceKernel::CudaCalcHippoNonbondedForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system) : CudaCalcHippoNonbondedForceKernel::CudaCalcHippoNonbondedForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system) :
CalcHippoNonbondedForceKernel(name, platform), cu(cu), system(system), sort(NULL), hasInitializedKernels(false), hasInitializedFFT(false), multipolesAreValid(false) { CalcHippoNonbondedForceKernel(name, platform), cu(cu), system(system), sort(NULL), hasInitializedKernels(false), hasInitializedFFT(false), multipolesAreValid(false) {
} }
......
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.h
View file @ 109a83de
...@@ -45,7 +45,7 @@ class CudaCalcAmoebaGeneralizedKirkwoodForceKernel; ...@@ -45,7 +45,7 @@ class CudaCalcAmoebaGeneralizedKirkwoodForceKernel;
*/ */
class CudaCalcAmoebaBondForceKernel : public CalcAmoebaBondForceKernel { class CudaCalcAmoebaBondForceKernel : public CalcAmoebaBondForceKernel {
public: public:
CudaCalcAmoebaBondForceKernel(std::string name, CudaCalcAmoebaBondForceKernel(const std::string& name,
const Platform& platform, const Platform& platform,
CudaContext& cu, CudaContext& cu,
const System& system); const System& system);
...@@ -85,7 +85,7 @@ private: ...@@ -85,7 +85,7 @@ private:
*/ */
class CudaCalcAmoebaAngleForceKernel : public CalcAmoebaAngleForceKernel { class CudaCalcAmoebaAngleForceKernel : public CalcAmoebaAngleForceKernel {
public: public:
CudaCalcAmoebaAngleForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaAngleForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -122,7 +122,7 @@ private: ...@@ -122,7 +122,7 @@ private:
*/ */
class CudaCalcAmoebaInPlaneAngleForceKernel : public CalcAmoebaInPlaneAngleForceKernel { class CudaCalcAmoebaInPlaneAngleForceKernel : public CalcAmoebaInPlaneAngleForceKernel {
public: public:
CudaCalcAmoebaInPlaneAngleForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaInPlaneAngleForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -159,7 +159,7 @@ private: ...@@ -159,7 +159,7 @@ private:
*/ */
class CudaCalcAmoebaPiTorsionForceKernel : public CalcAmoebaPiTorsionForceKernel { class CudaCalcAmoebaPiTorsionForceKernel : public CalcAmoebaPiTorsionForceKernel {
public: public:
CudaCalcAmoebaPiTorsionForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaPiTorsionForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -196,7 +196,7 @@ private: ...@@ -196,7 +196,7 @@ private:
*/ */
class CudaCalcAmoebaStretchBendForceKernel : public CalcAmoebaStretchBendForceKernel { class CudaCalcAmoebaStretchBendForceKernel : public CalcAmoebaStretchBendForceKernel {
public: public:
CudaCalcAmoebaStretchBendForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaStretchBendForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -234,7 +234,7 @@ private: ...@@ -234,7 +234,7 @@ private:
*/ */
class CudaCalcAmoebaOutOfPlaneBendForceKernel : public CalcAmoebaOutOfPlaneBendForceKernel { class CudaCalcAmoebaOutOfPlaneBendForceKernel : public CalcAmoebaOutOfPlaneBendForceKernel {
public: public:
CudaCalcAmoebaOutOfPlaneBendForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaOutOfPlaneBendForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -271,7 +271,7 @@ private: ...@@ -271,7 +271,7 @@ private:
*/ */
class CudaCalcAmoebaTorsionTorsionForceKernel : public CalcAmoebaTorsionTorsionForceKernel { class CudaCalcAmoebaTorsionTorsionForceKernel : public CalcAmoebaTorsionTorsionForceKernel {
public: public:
CudaCalcAmoebaTorsionTorsionForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaTorsionTorsionForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -304,7 +304,7 @@ private: ...@@ -304,7 +304,7 @@ private:
*/ */
class CudaCalcAmoebaMultipoleForceKernel : public CalcAmoebaMultipoleForceKernel { class CudaCalcAmoebaMultipoleForceKernel : public CalcAmoebaMultipoleForceKernel {
public: public:
CudaCalcAmoebaMultipoleForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaMultipoleForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
~CudaCalcAmoebaMultipoleForceKernel(); ~CudaCalcAmoebaMultipoleForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -466,7 +466,7 @@ private: ...@@ -466,7 +466,7 @@ private:
*/ */
class CudaCalcAmoebaGeneralizedKirkwoodForceKernel : public CalcAmoebaGeneralizedKirkwoodForceKernel { class CudaCalcAmoebaGeneralizedKirkwoodForceKernel : public CalcAmoebaGeneralizedKirkwoodForceKernel {
public: public:
CudaCalcAmoebaGeneralizedKirkwoodForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaGeneralizedKirkwoodForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -541,7 +541,7 @@ private: ...@@ -541,7 +541,7 @@ private:
*/ */
class CudaCalcAmoebaVdwForceKernel : public CalcAmoebaVdwForceKernel { class CudaCalcAmoebaVdwForceKernel : public CalcAmoebaVdwForceKernel {
public: public:
CudaCalcAmoebaVdwForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaVdwForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
~CudaCalcAmoebaVdwForceKernel(); ~CudaCalcAmoebaVdwForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -598,7 +598,7 @@ private: ...@@ -598,7 +598,7 @@ private:
*/ */
class CudaCalcAmoebaWcaDispersionForceKernel : public CalcAmoebaWcaDispersionForceKernel { class CudaCalcAmoebaWcaDispersionForceKernel : public CalcAmoebaWcaDispersionForceKernel {
public: public:
CudaCalcAmoebaWcaDispersionForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcAmoebaWcaDispersionForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
/** /**
* Initialize the kernel. * Initialize the kernel.
* *
...@@ -636,7 +636,7 @@ private: ...@@ -636,7 +636,7 @@ private:
*/ */
class CudaCalcHippoNonbondedForceKernel : public CalcHippoNonbondedForceKernel { class CudaCalcHippoNonbondedForceKernel : public CalcHippoNonbondedForceKernel {
public: public:
CudaCalcHippoNonbondedForceKernel(std::string name, const Platform& platform, CudaContext& cu, const System& system); CudaCalcHippoNonbondedForceKernel(const std::string& name, const Platform& platform, CudaContext& cu, const System& system);
~CudaCalcHippoNonbondedForceKernel(); ~CudaCalcHippoNonbondedForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
View file @ 109a83de
...@@ -880,7 +880,7 @@ static void testQuadrupoleValidation() { ...@@ -880,7 +880,7 @@ static void testQuadrupoleValidation() {
static void setupAndGetForcesEnergyMultipoleIonsAndWater(AmoebaMultipoleForce::NonbondedMethod nonbondedMethod, static void setupAndGetForcesEnergyMultipoleIonsAndWater(AmoebaMultipoleForce::NonbondedMethod nonbondedMethod,
AmoebaMultipoleForce::PolarizationType polarizationType, AmoebaMultipoleForce::PolarizationType polarizationType,
double cutoff, int inputPmeGridDimension, std::string testName, double cutoff, int inputPmeGridDimension, const std::string& testName,
std::vector<Vec3>& forces, double& energy) { std::vector<Vec3>& forces, double& energy) {
// beginning of Multipole setup // beginning of Multipole setup
......
plugins/amoeba/platforms/reference/src/AmoebaReferenceKernels.cpp
View file @ 109a83de
...@@ -83,7 +83,7 @@ static Vec3* extractBoxVectors(ContextImpl& context) { ...@@ -83,7 +83,7 @@ static Vec3* extractBoxVectors(ContextImpl& context) {
// *************************************************************************** // ***************************************************************************
ReferenceCalcAmoebaBondForceKernel::ReferenceCalcAmoebaBondForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaBondForceKernel::ReferenceCalcAmoebaBondForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaBondForceKernel(name, platform), system(system) { CalcAmoebaBondForceKernel(name, platform), system(system) {
} }
...@@ -140,7 +140,7 @@ void ReferenceCalcAmoebaBondForceKernel::copyParametersToContext(ContextImpl& co ...@@ -140,7 +140,7 @@ void ReferenceCalcAmoebaBondForceKernel::copyParametersToContext(ContextImpl& co
// *************************************************************************** // ***************************************************************************
ReferenceCalcAmoebaAngleForceKernel::ReferenceCalcAmoebaAngleForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaAngleForceKernel::ReferenceCalcAmoebaAngleForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaAngleForceKernel(name, platform), system(system) { CalcAmoebaAngleForceKernel(name, platform), system(system) {
} }
...@@ -196,7 +196,7 @@ void ReferenceCalcAmoebaAngleForceKernel::copyParametersToContext(ContextImpl& c ...@@ -196,7 +196,7 @@ void ReferenceCalcAmoebaAngleForceKernel::copyParametersToContext(ContextImpl& c
} }
} }
ReferenceCalcAmoebaInPlaneAngleForceKernel::ReferenceCalcAmoebaInPlaneAngleForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaInPlaneAngleForceKernel::ReferenceCalcAmoebaInPlaneAngleForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaInPlaneAngleForceKernel(name, platform), system(system) { CalcAmoebaInPlaneAngleForceKernel(name, platform), system(system) {
} }
...@@ -254,7 +254,7 @@ void ReferenceCalcAmoebaInPlaneAngleForceKernel::copyParametersToContext(Context ...@@ -254,7 +254,7 @@ void ReferenceCalcAmoebaInPlaneAngleForceKernel::copyParametersToContext(Context
} }
} }
ReferenceCalcAmoebaPiTorsionForceKernel::ReferenceCalcAmoebaPiTorsionForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaPiTorsionForceKernel::ReferenceCalcAmoebaPiTorsionForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaPiTorsionForceKernel(name, platform), system(system) { CalcAmoebaPiTorsionForceKernel(name, platform), system(system) {
} }
...@@ -309,7 +309,7 @@ void ReferenceCalcAmoebaPiTorsionForceKernel::copyParametersToContext(ContextImp ...@@ -309,7 +309,7 @@ void ReferenceCalcAmoebaPiTorsionForceKernel::copyParametersToContext(ContextImp
} }
} }
ReferenceCalcAmoebaStretchBendForceKernel::ReferenceCalcAmoebaStretchBendForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaStretchBendForceKernel::ReferenceCalcAmoebaStretchBendForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaStretchBendForceKernel(name, platform), system(system) { CalcAmoebaStretchBendForceKernel(name, platform), system(system) {
} }
...@@ -367,7 +367,7 @@ void ReferenceCalcAmoebaStretchBendForceKernel::copyParametersToContext(ContextI ...@@ -367,7 +367,7 @@ void ReferenceCalcAmoebaStretchBendForceKernel::copyParametersToContext(ContextI
} }
} }
ReferenceCalcAmoebaOutOfPlaneBendForceKernel::ReferenceCalcAmoebaOutOfPlaneBendForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaOutOfPlaneBendForceKernel::ReferenceCalcAmoebaOutOfPlaneBendForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaOutOfPlaneBendForceKernel(name, platform), system(system) { CalcAmoebaOutOfPlaneBendForceKernel(name, platform), system(system) {
} }
...@@ -428,7 +428,7 @@ void ReferenceCalcAmoebaOutOfPlaneBendForceKernel::copyParametersToContext(Conte ...@@ -428,7 +428,7 @@ void ReferenceCalcAmoebaOutOfPlaneBendForceKernel::copyParametersToContext(Conte
} }
} }
ReferenceCalcAmoebaTorsionTorsionForceKernel::ReferenceCalcAmoebaTorsionTorsionForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaTorsionTorsionForceKernel::ReferenceCalcAmoebaTorsionTorsionForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaTorsionTorsionForceKernel(name, platform), system(system) { CalcAmoebaTorsionTorsionForceKernel(name, platform), system(system) {
} }
...@@ -510,7 +510,7 @@ double ReferenceCalcAmoebaTorsionTorsionForceKernel::execute(ContextImpl& contex ...@@ -510,7 +510,7 @@ double ReferenceCalcAmoebaTorsionTorsionForceKernel::execute(ContextImpl& contex
* AmoebaMultipole * * AmoebaMultipole *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
ReferenceCalcAmoebaMultipoleForceKernel::ReferenceCalcAmoebaMultipoleForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaMultipoleForceKernel::ReferenceCalcAmoebaMultipoleForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaMultipoleForceKernel(name, platform), system(system), numMultipoles(0), mutualInducedMaxIterations(60), mutualInducedTargetEpsilon(1.0e-03), CalcAmoebaMultipoleForceKernel(name, platform), system(system), numMultipoles(0), mutualInducedMaxIterations(60), mutualInducedTargetEpsilon(1.0e-03),
usePme(false),alphaEwald(0.0), cutoffDistance(1.0) { usePme(false),alphaEwald(0.0), cutoffDistance(1.0) {
...@@ -871,7 +871,7 @@ void ReferenceCalcAmoebaMultipoleForceKernel::getPMEParameters(double& alpha, in ...@@ -871,7 +871,7 @@ void ReferenceCalcAmoebaMultipoleForceKernel::getPMEParameters(double& alpha, in
* AmoebaGeneralizedKirkwood * * AmoebaGeneralizedKirkwood *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel::ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel::ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaGeneralizedKirkwoodForceKernel(name, platform), system(system) { CalcAmoebaGeneralizedKirkwoodForceKernel(name, platform), system(system) {
} }
...@@ -992,7 +992,7 @@ void ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel::copyParametersToContext( ...@@ -992,7 +992,7 @@ void ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel::copyParametersToContext(
} }
} }
ReferenceCalcAmoebaVdwForceKernel::ReferenceCalcAmoebaVdwForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaVdwForceKernel::ReferenceCalcAmoebaVdwForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaVdwForceKernel(name, platform), system(system) { CalcAmoebaVdwForceKernel(name, platform), system(system) {
useCutoff = 0; useCutoff = 0;
usePBC = 0; usePBC = 0;
...@@ -1113,7 +1113,7 @@ void ReferenceCalcAmoebaVdwForceKernel::copyParametersToContext(ContextImpl& con ...@@ -1113,7 +1113,7 @@ void ReferenceCalcAmoebaVdwForceKernel::copyParametersToContext(ContextImpl& con
* AmoebaWcaDispersion * * AmoebaWcaDispersion *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
ReferenceCalcAmoebaWcaDispersionForceKernel::ReferenceCalcAmoebaWcaDispersionForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcAmoebaWcaDispersionForceKernel::ReferenceCalcAmoebaWcaDispersionForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcAmoebaWcaDispersionForceKernel(name, platform), system(system) { CalcAmoebaWcaDispersionForceKernel(name, platform), system(system) {
} }
...@@ -1176,7 +1176,7 @@ void ReferenceCalcAmoebaWcaDispersionForceKernel::copyParametersToContext(Contex ...@@ -1176,7 +1176,7 @@ void ReferenceCalcAmoebaWcaDispersionForceKernel::copyParametersToContext(Contex
* HippoNonbonded * * HippoNonbonded *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
ReferenceCalcHippoNonbondedForceKernel::ReferenceCalcHippoNonbondedForceKernel(std::string name, const Platform& platform, const System& system) : ReferenceCalcHippoNonbondedForceKernel::ReferenceCalcHippoNonbondedForceKernel(const std::string& name, const Platform& platform, const System& system) :
CalcHippoNonbondedForceKernel(name, platform), ixn(NULL) { CalcHippoNonbondedForceKernel(name, platform), ixn(NULL) {
} }
......
plugins/amoeba/platforms/reference/src/AmoebaReferenceKernels.h
View file @ 109a83de
...@@ -43,7 +43,7 @@ namespace OpenMM { ...@@ -43,7 +43,7 @@ namespace OpenMM {
*/ */
class ReferenceCalcAmoebaBondForceKernel : public CalcAmoebaBondForceKernel { class ReferenceCalcAmoebaBondForceKernel : public CalcAmoebaBondForceKernel {
public: public:
ReferenceCalcAmoebaBondForceKernel(std::string name, ReferenceCalcAmoebaBondForceKernel(const std::string& name,
const Platform& platform, const Platform& platform,
const System& system); const System& system);
~ReferenceCalcAmoebaBondForceKernel(); ~ReferenceCalcAmoebaBondForceKernel();
...@@ -87,7 +87,7 @@ private: ...@@ -87,7 +87,7 @@ private:
*/ */
class ReferenceCalcAmoebaAngleForceKernel : public CalcAmoebaAngleForceKernel { class ReferenceCalcAmoebaAngleForceKernel : public CalcAmoebaAngleForceKernel {
public: public:
ReferenceCalcAmoebaAngleForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaAngleForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaAngleForceKernel(); ~ReferenceCalcAmoebaAngleForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -132,7 +132,7 @@ private: ...@@ -132,7 +132,7 @@ private:
*/ */
class ReferenceCalcAmoebaInPlaneAngleForceKernel : public CalcAmoebaInPlaneAngleForceKernel { class ReferenceCalcAmoebaInPlaneAngleForceKernel : public CalcAmoebaInPlaneAngleForceKernel {
public: public:
ReferenceCalcAmoebaInPlaneAngleForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaInPlaneAngleForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaInPlaneAngleForceKernel(); ~ReferenceCalcAmoebaInPlaneAngleForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -178,7 +178,7 @@ private: ...@@ -178,7 +178,7 @@ private:
*/ */
class ReferenceCalcAmoebaPiTorsionForceKernel : public CalcAmoebaPiTorsionForceKernel { class ReferenceCalcAmoebaPiTorsionForceKernel : public CalcAmoebaPiTorsionForceKernel {
public: public:
ReferenceCalcAmoebaPiTorsionForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaPiTorsionForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaPiTorsionForceKernel(); ~ReferenceCalcAmoebaPiTorsionForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -221,7 +221,7 @@ private: ...@@ -221,7 +221,7 @@ private:
*/ */
class ReferenceCalcAmoebaStretchBendForceKernel : public CalcAmoebaStretchBendForceKernel { class ReferenceCalcAmoebaStretchBendForceKernel : public CalcAmoebaStretchBendForceKernel {
public: public:
ReferenceCalcAmoebaStretchBendForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaStretchBendForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaStretchBendForceKernel(); ~ReferenceCalcAmoebaStretchBendForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -265,7 +265,7 @@ private: ...@@ -265,7 +265,7 @@ private:
*/ */
class ReferenceCalcAmoebaOutOfPlaneBendForceKernel : public CalcAmoebaOutOfPlaneBendForceKernel { class ReferenceCalcAmoebaOutOfPlaneBendForceKernel : public CalcAmoebaOutOfPlaneBendForceKernel {
public: public:
ReferenceCalcAmoebaOutOfPlaneBendForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaOutOfPlaneBendForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaOutOfPlaneBendForceKernel(); ~ReferenceCalcAmoebaOutOfPlaneBendForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -310,7 +310,7 @@ private: ...@@ -310,7 +310,7 @@ private:
*/ */
class ReferenceCalcAmoebaTorsionTorsionForceKernel : public CalcAmoebaTorsionTorsionForceKernel { class ReferenceCalcAmoebaTorsionTorsionForceKernel : public CalcAmoebaTorsionTorsionForceKernel {
public: public:
ReferenceCalcAmoebaTorsionTorsionForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaTorsionTorsionForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaTorsionTorsionForceKernel(); ~ReferenceCalcAmoebaTorsionTorsionForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -350,7 +350,7 @@ private: ...@@ -350,7 +350,7 @@ private:
*/ */
class ReferenceCalcAmoebaMultipoleForceKernel : public CalcAmoebaMultipoleForceKernel { class ReferenceCalcAmoebaMultipoleForceKernel : public CalcAmoebaMultipoleForceKernel {
public: public:
ReferenceCalcAmoebaMultipoleForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaMultipoleForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaMultipoleForceKernel(); ~ReferenceCalcAmoebaMultipoleForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -470,7 +470,7 @@ private: ...@@ -470,7 +470,7 @@ private:
*/ */
class ReferenceCalcAmoebaVdwForceKernel : public CalcAmoebaVdwForceKernel { class ReferenceCalcAmoebaVdwForceKernel : public CalcAmoebaVdwForceKernel {
public: public:
ReferenceCalcAmoebaVdwForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaVdwForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaVdwForceKernel(); ~ReferenceCalcAmoebaVdwForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -521,7 +521,7 @@ private: ...@@ -521,7 +521,7 @@ private:
*/ */
class ReferenceCalcAmoebaWcaDispersionForceKernel : public CalcAmoebaWcaDispersionForceKernel { class ReferenceCalcAmoebaWcaDispersionForceKernel : public CalcAmoebaWcaDispersionForceKernel {
public: public:
ReferenceCalcAmoebaWcaDispersionForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaWcaDispersionForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaWcaDispersionForceKernel(); ~ReferenceCalcAmoebaWcaDispersionForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -568,7 +568,7 @@ private: ...@@ -568,7 +568,7 @@ private:
*/ */
class ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel : public CalcAmoebaGeneralizedKirkwoodForceKernel { class ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel : public CalcAmoebaGeneralizedKirkwoodForceKernel {
public: public:
ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel(); ~ReferenceCalcAmoebaGeneralizedKirkwoodForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -702,7 +702,7 @@ private: ...@@ -702,7 +702,7 @@ private:
*/ */
class ReferenceCalcHippoNonbondedForceKernel : public CalcHippoNonbondedForceKernel { class ReferenceCalcHippoNonbondedForceKernel : public CalcHippoNonbondedForceKernel {
public: public:
ReferenceCalcHippoNonbondedForceKernel(std::string name, const Platform& platform, const System& system); ReferenceCalcHippoNonbondedForceKernel(const std::string& name, const Platform& platform, const System& system);
~ReferenceCalcHippoNonbondedForceKernel(); ~ReferenceCalcHippoNonbondedForceKernel();
/** /**
* Initialize the kernel. * Initialize the kernel.
......
plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaMultipoleForce.cpp
View file @ 109a83de
...@@ -828,7 +828,7 @@ static void testQuadrupoleValidation() { ...@@ -828,7 +828,7 @@ static void testQuadrupoleValidation() {
static void setupAndGetForcesEnergyMultipoleIonsAndWater(AmoebaMultipoleForce::NonbondedMethod nonbondedMethod, static void setupAndGetForcesEnergyMultipoleIonsAndWater(AmoebaMultipoleForce::NonbondedMethod nonbondedMethod,
AmoebaMultipoleForce::PolarizationType polarizationType, AmoebaMultipoleForce::PolarizationType polarizationType,
double cutoff, int inputPmeGridDimension, std::string testName, double cutoff, int inputPmeGridDimension, const std::string& testName,
std::vector<Vec3>& forces, double& energy) { std::vector<Vec3>& forces, double& energy) {
// beginning of Multipole setup // beginning of Multipole setup
......
plugins/cpupme/src/CpuPmeKernels.h
View file @ 109a83de
...@@ -51,7 +51,7 @@ namespace OpenMM { ...@@ -51,7 +51,7 @@ namespace OpenMM {
class OPENMM_EXPORT_PME CpuCalcPmeReciprocalForceKernel : public CalcPmeReciprocalForceKernel { class OPENMM_EXPORT_PME CpuCalcPmeReciprocalForceKernel : public CalcPmeReciprocalForceKernel {
public: public:
CpuCalcPmeReciprocalForceKernel(std::string name, const Platform& platform) : CalcPmeReciprocalForceKernel(name, platform), CpuCalcPmeReciprocalForceKernel(const std::string& name, const Platform& platform) : CalcPmeReciprocalForceKernel(name, platform),
hasCreatedPlan(false), isDeleted(false), realGrid(NULL), complexGrid(NULL) { hasCreatedPlan(false), isDeleted(false), realGrid(NULL), complexGrid(NULL) {
} }
/** /**
...@@ -144,7 +144,7 @@ private: ...@@ -144,7 +144,7 @@ private:
class OPENMM_EXPORT_PME CpuCalcDispersionPmeReciprocalForceKernel : public CalcDispersionPmeReciprocalForceKernel { class OPENMM_EXPORT_PME CpuCalcDispersionPmeReciprocalForceKernel : public CalcDispersionPmeReciprocalForceKernel {
public: public:
CpuCalcDispersionPmeReciprocalForceKernel(std::string name, const Platform& platform) : CalcDispersionPmeReciprocalForceKernel(name, platform), CpuCalcDispersionPmeReciprocalForceKernel(const std::string& name, const Platform& platform) : CalcDispersionPmeReciprocalForceKernel(name, platform),
hasCreatedPlan(false), isDeleted(false), realGrid(NULL), complexGrid(NULL) { hasCreatedPlan(false), isDeleted(false), realGrid(NULL), complexGrid(NULL) {
} }
/** /**
......
plugins/cudacompiler/src/CudaCompilerKernels.h
View file @ 109a83de
...@@ -44,7 +44,7 @@ namespace OpenMM { ...@@ -44,7 +44,7 @@ namespace OpenMM {
*/ */
class OPENMM_EXPORT_CUDACOMPILER CudaRuntimeCompilerKernel : public CudaCompilerKernel { class OPENMM_EXPORT_CUDACOMPILER CudaRuntimeCompilerKernel : public CudaCompilerKernel {
public: public:
CudaRuntimeCompilerKernel(std::string name, const Platform& platform) : CudaCompilerKernel(name, platform) { CudaRuntimeCompilerKernel(const std::string& name, const Platform& platform) : CudaCompilerKernel(name, platform) {
} }
/** /**
* Compile a kernel to PTX. * Compile a kernel to PTX.
......
plugins/drude/platforms/cuda/src/CudaDrudeKernels.h
View file @ 109a83de
...@@ -44,7 +44,7 @@ namespace OpenMM { ...@@ -44,7 +44,7 @@ namespace OpenMM {
*/ */
class CudaCalcDrudeForceKernel : public CalcDrudeForceKernel { class CudaCalcDrudeForceKernel : public CalcDrudeForceKernel {
public: public:
CudaCalcDrudeForceKernel(std::string name, const Platform& platform, CudaContext& cu) : CudaCalcDrudeForceKernel(const std::string& name, const Platform& platform, CudaContext& cu) :
CalcDrudeForceKernel(name, platform), cu(cu) { CalcDrudeForceKernel(name, platform), cu(cu) {
} }
/** /**
...@@ -81,7 +81,7 @@ private: ...@@ -81,7 +81,7 @@ private:
*/ */
class CudaIntegrateDrudeLangevinStepKernel : public IntegrateDrudeLangevinStepKernel { class CudaIntegrateDrudeLangevinStepKernel : public IntegrateDrudeLangevinStepKernel {
public: public:
CudaIntegrateDrudeLangevinStepKernel(std::string name, const Platform& platform, CudaContext& cu) : CudaIntegrateDrudeLangevinStepKernel(const std::string& name, const Platform& platform, CudaContext& cu) :
IntegrateDrudeLangevinStepKernel(name, platform), cu(cu) { IntegrateDrudeLangevinStepKernel(name, platform), cu(cu) {
} }
/** /**
...@@ -119,7 +119,7 @@ private: ...@@ -119,7 +119,7 @@ private:
*/ */
class CudaIntegrateDrudeSCFStepKernel : public IntegrateDrudeSCFStepKernel { class CudaIntegrateDrudeSCFStepKernel : public IntegrateDrudeSCFStepKernel {
public: public:
CudaIntegrateDrudeSCFStepKernel(std::string name, const Platform& platform, CudaContext& cu) : CudaIntegrateDrudeSCFStepKernel(const std::string& name, const Platform& platform, CudaContext& cu) :
IntegrateDrudeSCFStepKernel(name, platform), cu(cu), minimizerPos(NULL) { IntegrateDrudeSCFStepKernel(name, platform), cu(cu), minimizerPos(NULL) {
} }
~CudaIntegrateDrudeSCFStepKernel(); ~CudaIntegrateDrudeSCFStepKernel();
......
plugins/drude/platforms/opencl/src/OpenCLDrudeKernels.h
View file @ 109a83de
...@@ -44,7 +44,7 @@ namespace OpenMM { ...@@ -44,7 +44,7 @@ namespace OpenMM {
*/ */
class OpenCLCalcDrudeForceKernel : public CalcDrudeForceKernel { class OpenCLCalcDrudeForceKernel : public CalcDrudeForceKernel {
public: public:
OpenCLCalcDrudeForceKernel(std::string name, const Platform& platform, OpenCLContext& cl) : OpenCLCalcDrudeForceKernel(const std::string& name, const Platform& platform, OpenCLContext& cl) :
CalcDrudeForceKernel(name, platform), cl(cl) { CalcDrudeForceKernel(name, platform), cl(cl) {
} }
/** /**
...@@ -81,7 +81,7 @@ private: ...@@ -81,7 +81,7 @@ private:
*/ */
class OpenCLIntegrateDrudeLangevinStepKernel : public IntegrateDrudeLangevinStepKernel { class OpenCLIntegrateDrudeLangevinStepKernel : public IntegrateDrudeLangevinStepKernel {
public: public:
OpenCLIntegrateDrudeLangevinStepKernel(std::string name, const Platform& platform, OpenCLContext& cl) : OpenCLIntegrateDrudeLangevinStepKernel(const std::string& name, const Platform& platform, OpenCLContext& cl) :
IntegrateDrudeLangevinStepKernel(name, platform), cl(cl), hasInitializedKernels(false) { IntegrateDrudeLangevinStepKernel(name, platform), cl(cl), hasInitializedKernels(false) {
} }
/** /**
...@@ -120,7 +120,7 @@ private: ...@@ -120,7 +120,7 @@ private:
*/ */
class OpenCLIntegrateDrudeSCFStepKernel : public IntegrateDrudeSCFStepKernel { class OpenCLIntegrateDrudeSCFStepKernel : public IntegrateDrudeSCFStepKernel {
public: public:
OpenCLIntegrateDrudeSCFStepKernel(std::string name, const Platform& platform, OpenCLContext& cl) : OpenCLIntegrateDrudeSCFStepKernel(const std::string& name, const Platform& platform, OpenCLContext& cl) :
IntegrateDrudeSCFStepKernel(name, platform), cl(cl), hasInitializedKernels(false), minimizerPos(NULL) { IntegrateDrudeSCFStepKernel(name, platform), cl(cl), hasInitializedKernels(false), minimizerPos(NULL) {
} }
~OpenCLIntegrateDrudeSCFStepKernel(); ~OpenCLIntegrateDrudeSCFStepKernel();
......
plugins/drude/platforms/reference/src/ReferenceDrudeKernels.h
View file @ 109a83de
...@@ -48,7 +48,7 @@ namespace OpenMM { ...@@ -48,7 +48,7 @@ namespace OpenMM {
*/ */
class ReferenceCalcDrudeForceKernel : public CalcDrudeForceKernel { class ReferenceCalcDrudeForceKernel : public CalcDrudeForceKernel {
public: public:
ReferenceCalcDrudeForceKernel(std::string name, const Platform& platform) : CalcDrudeForceKernel(name, platform) { ReferenceCalcDrudeForceKernel(const std::string& name, const Platform& platform) : CalcDrudeForceKernel(name, platform) {
} }
/** /**
* Initialize the kernel. * Initialize the kernel.
...@@ -85,7 +85,7 @@ private: ...@@ -85,7 +85,7 @@ private:
*/ */
class ReferenceIntegrateDrudeLangevinStepKernel : public IntegrateDrudeLangevinStepKernel { class ReferenceIntegrateDrudeLangevinStepKernel : public IntegrateDrudeLangevinStepKernel {
public: public:
ReferenceIntegrateDrudeLangevinStepKernel(std::string name, const Platform& platform, ReferencePlatform::PlatformData& data) : ReferenceIntegrateDrudeLangevinStepKernel(const std::string& name, const Platform& platform, ReferencePlatform::PlatformData& data) :
IntegrateDrudeLangevinStepKernel(name, platform), data(data) { IntegrateDrudeLangevinStepKernel(name, platform), data(data) {
} }
~ReferenceIntegrateDrudeLangevinStepKernel(); ~ReferenceIntegrateDrudeLangevinStepKernel();
...@@ -126,7 +126,7 @@ private: ...@@ -126,7 +126,7 @@ private:
*/ */
class ReferenceIntegrateDrudeSCFStepKernel : public IntegrateDrudeSCFStepKernel { class ReferenceIntegrateDrudeSCFStepKernel : public IntegrateDrudeSCFStepKernel {
public: public:
ReferenceIntegrateDrudeSCFStepKernel(std::string name, const Platform& platform, ReferencePlatform::PlatformData& data) : ReferenceIntegrateDrudeSCFStepKernel(const std::string& name, const Platform& platform, ReferencePlatform::PlatformData& data) :
IntegrateDrudeSCFStepKernel(name, platform), data(data), minimizerPos(NULL) { IntegrateDrudeSCFStepKernel(name, platform), data(data), minimizerPos(NULL) {
} }
~ReferenceIntegrateDrudeSCFStepKernel(); ~ReferenceIntegrateDrudeSCFStepKernel();
......
plugins/rpmd/platforms/cuda/src/CudaRpmdKernels.h
View file @ 109a83de
...@@ -45,7 +45,7 @@ namespace OpenMM { ...@@ -45,7 +45,7 @@ namespace OpenMM {
*/ */
class CudaIntegrateRPMDStepKernel : public IntegrateRPMDStepKernel { class CudaIntegrateRPMDStepKernel : public IntegrateRPMDStepKernel {
public: public:
CudaIntegrateRPMDStepKernel(std::string name, const Platform& platform, CudaContext& cu) : CudaIntegrateRPMDStepKernel(const std::string& name, const Platform& platform, CudaContext& cu) :
IntegrateRPMDStepKernel(name, platform), cu(cu) { IntegrateRPMDStepKernel(name, platform), cu(cu) {
} }
/** /**
......
plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.h
View file @ 109a83de
...@@ -44,7 +44,7 @@ namespace OpenMM { ...@@ -44,7 +44,7 @@ namespace OpenMM {
*/ */
class OpenCLIntegrateRPMDStepKernel : public IntegrateRPMDStepKernel { class OpenCLIntegrateRPMDStepKernel : public IntegrateRPMDStepKernel {
public: public:
OpenCLIntegrateRPMDStepKernel(std::string name, const Platform& platform, OpenCLContext& cl) : OpenCLIntegrateRPMDStepKernel(const std::string& name, const Platform& platform, OpenCLContext& cl) :
IntegrateRPMDStepKernel(name, platform), cl(cl), hasInitializedKernel(false) { IntegrateRPMDStepKernel(name, platform), cl(cl), hasInitializedKernel(false) {
} }
/** /**
......
plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.h
View file @ 109a83de
...@@ -45,7 +45,7 @@ namespace OpenMM { ...@@ -45,7 +45,7 @@ namespace OpenMM {
*/ */
class ReferenceIntegrateRPMDStepKernel : public IntegrateRPMDStepKernel { class ReferenceIntegrateRPMDStepKernel : public IntegrateRPMDStepKernel {
public: public:
ReferenceIntegrateRPMDStepKernel(std::string name, const Platform& platform) : ReferenceIntegrateRPMDStepKernel(const std::string& name, const Platform& platform) :
IntegrateRPMDStepKernel(name, platform), fft(NULL) { IntegrateRPMDStepKernel(name, platform), fft(NULL) {
} }
~ReferenceIntegrateRPMDStepKernel(); ~ReferenceIntegrateRPMDStepKernel();
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment