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//#include "SimInfo.hpp" |
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//#include "ReadWrite.hpp" |
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// Note: this is a hard coded length - could cause problems with big systems |
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double zAngle[10001]; |
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class Restraints{ |
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public: |
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~Restraints(); |
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void Calc_rVal(double position[3], int currentMol); |
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void Calc_thetaVal(double matrix[3][3], int currentMol); |
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void Calc_omegaVal(double matrix[3][3], int currentMol); |
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void Calc_body_thetaVal(double matrix[3][3], int currentMol); |
| 27 |
< |
void Calc_body_omegaVal(double matrix[3][3], int currentMol); |
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> |
void Calc_body_omegaVal(double matrix[3][3], double zAngle); |
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double Calc_Restraint_Forces(vector<StuntDouble*> vecParticles); |
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< |
void Store_Init_Info(); |
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< |
void Determine_Lambda(); |
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< |
void Write_zAngle_File(); |
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> |
void Store_Init_Info(vector<StuntDouble*> vecParticles); |
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> |
void Write_zAngle_File(vector<StuntDouble*> vecParticles); |
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double getVharm(); |
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private: |
