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#include "brains/Exclude.hpp" |
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#include "io/Globals.hpp" |
59 |
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#include "math/Vector3.hpp" |
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#include "math/SquareMatrix3.hpp" |
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#include "types/MoleculeStamp.hpp" |
62 |
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#include "UseTheForce/ForceField.hpp" |
63 |
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#include "utils/PropertyMap.hpp" |
256 |
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|
257 |
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/** Returns the center of the mass of the whole system.*/ |
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Vector3d getCom(); |
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/** Returns the center of the mass and Center of Mass velocity of the whole system.*/ |
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void getComAll(Vector3d& com,Vector3d& comVel); |
261 |
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|
262 |
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/** Returns intertia tensor for the entire system and system Angular Momentum.*/ |
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void getInertiaTensor(Mat3x3d &intertiaTensor,Vector3d &angularMomentum); |
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|
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/** Returns system angular momentum */ |
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Vector3d getAngularMomentum(); |
267 |
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|
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/** main driver function to interact with fortran during the initialization and molecule migration */ |
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void update(); |
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