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Commit 95f1884c authored by Peter Eastman's avatar Peter Eastman
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Created CudaForceInfo subclasses for all the Amoeba forces

parent 640d8f0a
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Showing with 325 additions and 7 deletions
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.h
View file @ 95f1884c
...@@ -60,6 +60,7 @@ public: ...@@ -60,6 +60,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numBonds; int numBonds;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -89,6 +90,7 @@ public: ...@@ -89,6 +90,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numAngles; int numAngles;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -118,6 +120,7 @@ public: ...@@ -118,6 +120,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numAngles; int numAngles;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -147,6 +150,7 @@ public: ...@@ -147,6 +150,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numTorsions; int numTorsions;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -176,6 +180,7 @@ public: ...@@ -176,6 +180,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numPiTorsions; int numPiTorsions;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -205,6 +210,7 @@ public: ...@@ -205,6 +210,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numStretchBends; int numStretchBends;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -234,6 +240,7 @@ public: ...@@ -234,6 +240,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numOutOfPlaneBends; int numOutOfPlaneBends;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -263,6 +270,7 @@ public: ...@@ -263,6 +270,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numTorsionTorsions; int numTorsionTorsions;
int numTorsionTorsionGrids; int numTorsionTorsionGrids;
AmoebaCudaData& data; AmoebaCudaData& data;
...@@ -293,6 +301,7 @@ public: ...@@ -293,6 +301,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
int numMultipoles; int numMultipoles;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
...@@ -322,6 +331,7 @@ public: ...@@ -322,6 +331,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
}; };
...@@ -350,6 +360,7 @@ public: ...@@ -350,6 +360,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
}; };
...@@ -378,6 +389,7 @@ public: ...@@ -378,6 +389,7 @@ public:
*/ */
double execute(ContextImpl& context, bool includeForces, bool includeEnergy); double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
private: private:
class ForceInfo;
AmoebaCudaData& data; AmoebaCudaData& data;
System& system; System& system;
}; };
......
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