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Commit 239dc39e authored by peastman's avatar peastman
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Merge pull request #1294 from pandegroup/rmcgibbo-patch-1 

Update CustomHbondForce.h
parents 5f9e7d01 90fea164
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olla/include/openmm/Kernel.h
View file @ 239dc39e
......@@ -62,7 +62,7 @@ public:
/**
* Create a Kernel that wraps a KernelImpl.
*
* @param name the name of the kernel to create
* @param KernelImpl the KernelImpl to wrap
*/
Kernel(KernelImpl* impl);
~Kernel();
......
openmmapi/include/openmm/CustomHbondForce.h
View file @ 239dc39e
......@@ -369,8 +369,8 @@ public:
* Get the donor and acceptor in a pair whose interaction should be excluded.
*
* @param index the index of the exclusion for which to get donor and acceptor indices
* @param[out] particle1 the index of the donor
* @param[out] particle2 the index of the acceptor
* @param[out] donor the index of the donor
* @param[out] acceptor the index of the acceptor
*/
void getExclusionParticles(int index, int& donor, int& acceptor) const;
/**
......
openmmapi/include/openmm/TabulatedFunction.h
View file @ 239dc39e
......@@ -80,11 +80,11 @@ public:
/**
* Get the parameters for the tabulated function.
*
* @param values the tabulated values of the function f(x) at uniformly spaced values of x between min
* @param[out] values the tabulated values of the function f(x) at uniformly spaced values of x between min
* and max. A natural cubic spline is used to interpolate between the tabulated values.
* The function is assumed to be zero for x < min or x > max.
* @param min the value of x corresponding to the first element of values
* @param max the value of x corresponding to the last element of values
* @param[out] min the value of x corresponding to the first element of values
* @param[out] max the value of x corresponding to the last element of values
*/
void getFunctionParameters(std::vector<double>& values, double& min, double& max) const;
/**
......@@ -129,16 +129,16 @@ public:
/**
* Get the parameters for the tabulated function.
*
* @param values the tabulated values of the function f(x,y) at xsize uniformly spaced values of x between xmin
* @param[out] values the tabulated values of the function f(x,y) at xsize uniformly spaced values of x between xmin
* and xmax, and ysize values of y between ymin and ymax. A natural cubic spline is used to interpolate between the tabulated values.
* The function is assumed to be zero when x or y is outside its specified range. The values should be ordered so that
* values[i+xsize*j] = f(x_i,y_j), where x_i is the i'th uniformly spaced value of x. This must be of length xsize*ysize.
* @param xsize the number of table elements along the x direction
* @param ysize the number of table elements along the y direction
* @param xmin the value of x corresponding to the first element of values
* @param xmax the value of x corresponding to the last element of values
* @param ymin the value of y corresponding to the first element of values
* @param ymax the value of y corresponding to the last element of values
* @param[out] xsize the number of table elements along the x direction
* @param[out] ysize the number of table elements along the y direction
* @param[out] xmin the value of x corresponding to the first element of values
* @param[out] xmax the value of x corresponding to the last element of values
* @param[out] ymin the value of y corresponding to the first element of values
* @param[out] ymax the value of y corresponding to the last element of values
*/
void getFunctionParameters(int& xsize, int& ysize, std::vector<double>& values, double& xmin, double& xmax, double& ymin, double& ymax) const;
/**
......@@ -194,21 +194,21 @@ public:
/**
* Get the parameters for the tabulated function.
*
* @param values the tabulated values of the function f(x,y,z) at xsize uniformly spaced values of x between xmin
* @param[out] values the tabulated values of the function f(x,y,z) at xsize uniformly spaced values of x between xmin
* and xmax, ysize values of y between ymin and ymax, and zsize values of z between zmin and zmax.
* A natural cubic spline is used to interpolate between the tabulated values. The function is
* assumed to be zero when x, y, or z is outside its specified range. The values should be ordered so
* that values[i+xsize*j+xsize*ysize*k] = f(x_i,y_j,z_k), where x_i is the i'th uniformly spaced value of x.
* This must be of length xsize*ysize*zsize.
* @param xsize the number of table elements along the x direction
* @param ysize the number of table elements along the y direction
* @param ysize the number of table elements along the z direction
* @param xmin the value of x corresponding to the first element of values
* @param xmax the value of x corresponding to the last element of values
* @param ymin the value of y corresponding to the first element of values
* @param ymax the value of y corresponding to the last element of values
* @param zmin the value of z corresponding to the first element of values
* @param zmax the value of z corresponding to the last element of values
* @param[out] xsize the number of table elements along the x direction
* @param[out] ysize the number of table elements along the y direction
* @param[out] zsize the number of table elements along the z direction
* @param[out] xmin the value of x corresponding to the first element of values
* @param[out] xmax the value of x corresponding to the last element of values
* @param[out] ymin the value of y corresponding to the first element of values
* @param[out] ymax the value of y corresponding to the last element of values
* @param[out] zmin the value of z corresponding to the first element of values
* @param[out] zmax the value of z corresponding to the last element of values
*/
void getFunctionParameters(int& xsize, int& ysize, int& zsize, std::vector<double>& values, double& xmin, double& xmax, double& ymin, double& ymax, double& zmin, double& zmax) const;
/**
......@@ -222,7 +222,7 @@ public:
* This must be of length xsize*ysize*zsize.
* @param xsize the number of table elements along the x direction
* @param ysize the number of table elements along the y direction
* @param ysize the number of table elements along the z direction
* @param zsize the number of table elements along the z direction
* @param xmin the value of x corresponding to the first element of values
* @param xmax the value of x corresponding to the last element of values
* @param ymin the value of y corresponding to the first element of values
......@@ -257,7 +257,7 @@ public:
/**
* Get the parameters for the tabulated function.
*
* @param values the tabulated values of the function f(x)
* @param[out] values the tabulated values of the function f(x)
*/
void getFunctionParameters(std::vector<double>& values) const;
/**
......@@ -293,9 +293,9 @@ public:
/**
* Get the parameters for the tabulated function.
*
* @param xsize the number of table elements along the x direction
* @param ysize the number of table elements along the y direction
* @param values the tabulated values of the function f(x,y), ordered so that
* @param[out] xsize the number of table elements along the x direction
* @param[out] ysize the number of table elements along the y direction
* @param[out] values the tabulated values of the function f(x,y), ordered so that
* values[i+xsize*j] = f(i,j). This must be of length xsize*ysize.
*/
void getFunctionParameters(int& xsize, int& ysize, std::vector<double>& values) const;
......@@ -337,10 +337,10 @@ public:
/**
* Get the parameters for the tabulated function.
*
* @param xsize the number of table elements along the x direction
* @param ysize the number of table elements along the y direction
* @param zsize the number of table elements along the z direction
* @param values the tabulated values of the function f(x,y,z), ordered so that
* @param[out] xsize the number of table elements along the x direction
* @param[out] ysize the number of table elements along the y direction
* @param[out] zsize the number of table elements along the z direction
* @param[out] values the tabulated values of the function f(x,y,z), ordered so that
* values[i+xsize*j+xsize*ysize*k] = f(i,j,k). This must be of length xsize*ysize*zsize.
*/
void getFunctionParameters(int& xsize, int& ysize, int& zsize, std::vector<double>& values) const;
......
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