OpenMD::HydroProp Class Reference

Container for information about the hydrodynamic behavior of objects interacting with surroundings. More...

#include "hydrodynamics/HydroProp.hpp"

Public Member Functions
	HydroProp (Vector3d cor, Mat6x6d Xi)
void	setName (std::string name)
std::string	getName ()
void	setCenterOfResistance (Vector3d cor)
Vector3d	getCenterOfResistance ()
void	setResistanceTensor (Mat6x6d Xi)
Mat6x6d	getResistanceTensor ()
Mat3x3d	getXitt ()
Mat3x3d	getXitr ()
Mat3x3d	getXirt ()
Mat3x3d	getXirr ()
void	complete ()
Mat6x6d	getS ()
Mat6x6d	getDiffusionTensor (RealType temperature)
Mat6x6d	getResistanceTensorAtPos (Vector3d pos)
Mat6x6d	getDiffusionTensorAtPos (Vector3d pos, RealType temperature)
Vector3d	getCenterOfDiffusion (RealType temperature)
Mat3x3d	getPitchMatrix ()
RealType	getScalarPitch ()
void	pitchAxes (Mat3x3d &pitchAxes, Vector3d &pitches, RealType &pitchScalar)
Vector3d	getCenterOfPitch ()

Detailed Description

Container for information about the hydrodynamic behavior of objects interacting with surroundings.

Note

the units for the center of resistance (a location) are in Angstroms

the units of the resistance tensor are: Xitt (Translation-translation) : kcal fs mol^-1 Angstroms^-2 Xirt (Rotation-translation) : kcal fs mol^-1 Angstroms^-1 radians^-1 Xitr (Translation-rotation) : kcal fs mol^-1 Angstroms^-1 radians^-1 Xirr (Rotation-rotation) : kcal fs mol^-1 radians^-2

the units of D, the diffusion tensor are: Dtt (Translation-translation) : Angstroms^2 fs^-1 Drt (Rotation-translation) : Angstroms fs^-1 Dtr (Translation-rotation) : Angstroms fs^-1 Drr (Rotation-rotation) : fs^-1

after setting the value of Xi manually, the complete() function should be called to perform the Cholesky Decomposition.

Definition at line 74 of file HydroProp.hpp.

Constructor & Destructor Documentation

HydroProp() [1/2]

OpenMD::HydroProp::HydroProp

(

)

Definition at line 53 of file HydroProp.cpp.

HydroProp() [2/2]

OpenMD::HydroProp::HydroProp	(	Vector3d	cor,
		Mat6x6d	Xi )

Definition at line 55 of file HydroProp.cpp.

Member Function Documentation

complete()

void OpenMD::HydroProp::complete

(

)

Definition at line 58 of file HydroProp.cpp.

getCenterOfDiffusion()

Vector3d OpenMD::HydroProp::getCenterOfDiffusion

(

RealType

temperature

)

Definition at line 174 of file HydroProp.cpp.

getCenterOfPitch()

Vector3d OpenMD::HydroProp::getCenterOfPitch

(

)

Definition at line 250 of file HydroProp.cpp.

getCenterOfResistance()

Vector3d OpenMD::HydroProp::getCenterOfResistance ( )

inline

Definition at line 86 of file HydroProp.hpp.

getDiffusionTensor()

Mat6x6d OpenMD::HydroProp::getDiffusionTensor

(

RealType

temperature

)

Definition at line 98 of file HydroProp.cpp.

getDiffusionTensorAtPos()

Mat6x6d OpenMD::HydroProp::getDiffusionTensorAtPos	(	Vector3d	pos,
		RealType	temperature )

Definition at line 136 of file HydroProp.cpp.

getName()

std::string OpenMD::HydroProp::getName ( )

inline

Definition at line 80 of file HydroProp.hpp.

getPitchMatrix()

Mat3x3d OpenMD::HydroProp::getPitchMatrix

(

)

Definition at line 214 of file HydroProp.cpp.

getResistanceTensor()

Mat6x6d OpenMD::HydroProp::getResistanceTensor ( )

inline

Definition at line 93 of file HydroProp.hpp.

getResistanceTensorAtPos()

Mat6x6d OpenMD::HydroProp::getResistanceTensorAtPos

(

Vector3d

pos

)

Definition at line 107 of file HydroProp.cpp.

getS()

Mat6x6d OpenMD::HydroProp::getS

(

)

Definition at line 72 of file HydroProp.cpp.

getScalarPitch()

RealType OpenMD::HydroProp::getScalarPitch

(

)

Definition at line 220 of file HydroProp.cpp.

getXirr()

Mat3x3d OpenMD::HydroProp::getXirr

(

)

Definition at line 92 of file HydroProp.cpp.

getXirt()

Mat3x3d OpenMD::HydroProp::getXirt

(

)

Definition at line 82 of file HydroProp.cpp.

getXitr()

Mat3x3d OpenMD::HydroProp::getXitr

(

)

Definition at line 87 of file HydroProp.cpp.

getXitt()

Mat3x3d OpenMD::HydroProp::getXitt

(

)

Definition at line 77 of file HydroProp.cpp.

pitchAxes()

void OpenMD::HydroProp::pitchAxes	(	Mat3x3d &	pitchAxes,
		Vector3d &	pitches,
		RealType &	pitchScalar )

Definition at line 235 of file HydroProp.cpp.

setCenterOfResistance()

void OpenMD::HydroProp::setCenterOfResistance ( Vector3d cor )

inline

Definition at line 82 of file HydroProp.hpp.

setName()

void OpenMD::HydroProp::setName ( std::string name )

inline

Definition at line 79 of file HydroProp.hpp.

setResistanceTensor()

void OpenMD::HydroProp::setResistanceTensor ( Mat6x6d Xi )

inline

Definition at line 88 of file HydroProp.hpp.

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The documentation for this class was generated from the following files:

• hydrodynamics/HydroProp.hpp
• hydrodynamics/HydroProp.cpp