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"wrappers/vscode:/vscode.git/clone" did not exist on "adfd84c27330f99c59a9e1c510c07473a7ac8a9b"
Commit 0f5f5334 authored by peastman's avatar peastman
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One file that got missed in the last commit

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olla/include/openmm/kernels.h
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...@@ -581,6 +581,15 @@ public: ...@@ -581,6 +581,15 @@ public:
* @param force the NonbondedForce to copy the parameters from * @param force the NonbondedForce to copy the parameters from
*/ */
virtual void copyParametersToContext(ContextImpl& context, const NonbondedForce& force) = 0; virtual void copyParametersToContext(ContextImpl& context, const NonbondedForce& force) = 0;
/**
* Get the parameters being used for PME.
*
* @param alpha the separation parameter
* @param nx the number of grid points along the X axis
* @param ny the number of grid points along the Y axis
* @param nz the number of grid points along the Z axis
*/
virtual void getPMEParameters(double& alpha, int& nx, int& ny, int& nz) const = 0;
}; };
/** /**
...@@ -1281,6 +1290,15 @@ public: ...@@ -1281,6 +1290,15 @@ public:
* @return the potential energy due to the PME reciprocal space interactions * @return the potential energy due to the PME reciprocal space interactions
*/ */
virtual double finishComputation(IO& io) = 0; virtual double finishComputation(IO& io) = 0;
/**
* Get the parameters being used for PME.
*
* @param alpha the separation parameter
* @param nx the number of grid points along the X axis
* @param ny the number of grid points along the Y axis
* @param nz the number of grid points along the Z axis
*/
virtual void getPMEParameters(double& alpha, int& nx, int& ny, int& nz) const = 0;
}; };
/** /**
......
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