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#include "math/SquareMatrix3.hpp" |
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namespace oopse { |
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|
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/** |
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* @class HydroProp HydroProp.hpp "hydrodynamics/HydroProp.hpp" |
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* Container for information about the hydrodynamic behavior of objects |
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* undergoing Langevin dynamics. |
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* @note the units for the center of resistance (a location) are in Angstroms |
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* |
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* @note the units of Xi, the resistance tensor are: |
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* Xitt (Translation-translation) : kcal fs mol^-1 Angstroms^-2 |
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* Xirt (Rotation-translation) : kcal fs mol^-1 Angstroms^-1 radians^-1 |
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* Xitr (Translation-rotation) : kcal fs mol^-1 Angstroms^-1 radians^-1 |
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* Xirr (Rotation-rotation) : kcal fs mol^-1 radians^-2 |
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* |
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* @note the units of D, the diffusion tensor are: |
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* Dtt (Translation-translation) : Angstroms^2 fs^-1 |
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* Drt (Rotation-translation) : Angstroms fs^-1 |
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* Dtr (Translation-rotation) : Angstroms fs^-1 |
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* Drr (Rotation-rotation) : fs^-1 |
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* |
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* @note after setting the value of Xi manually, the complete() function |
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* should be called to perform the Cholesky Decomposition. |
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*/ |
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class HydroProp { |
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public: |
