| 56 |
|
|
| 57 |
|
virtual void calcForces(bool needPotential, bool needStress); |
| 58 |
|
|
| 59 |
< |
double getZConsTime() { return zconsTime_; } |
| 59 |
> |
RealType getZConsTime() { return zconsTime_; } |
| 60 |
|
std::string getZConsOutput() { return zconsOutput_; } |
| 61 |
|
|
| 62 |
|
void update(); |
| 75 |
|
void calcTotalMassMovingZMols(); |
| 76 |
|
bool haveMovingZMols(); |
| 77 |
|
bool haveFixedZMols(); |
| 78 |
< |
double getZTargetPos(int index); |
| 79 |
< |
double getZFOfFixedZMols(Molecule* mol, StuntDouble* sd, double totalForce) ; |
| 80 |
< |
double getZFOfMovingMols(Molecule* mol, double totalForce) ; |
| 81 |
< |
double getHFOfFixedZMols(Molecule* mol, StuntDouble* sd, double totalForce); |
| 82 |
< |
double getHFOfUnconsMols(Molecule* mol, double totalForce); |
| 78 |
> |
RealType getZTargetPos(int index); |
| 79 |
> |
RealType getZFOfFixedZMols(Molecule* mol, StuntDouble* sd, RealType totalForce) ; |
| 80 |
> |
RealType getZFOfMovingMols(Molecule* mol, RealType totalForce) ; |
| 81 |
> |
RealType getHFOfFixedZMols(Molecule* mol, StuntDouble* sd, RealType totalForce); |
| 82 |
> |
RealType getHFOfUnconsMols(Molecule* mol, RealType totalForce); |
| 83 |
|
|
| 84 |
|
std::list<ZconstraintMol> movingZMols_; /**< moving zconstraint molecules*/ |
| 85 |
|
std::list<ZconstraintMol> fixedZMols_; /**< fixed zconstraint molecules*/ |
| 86 |
|
std::vector<Molecule*> unzconsMols_; /**< free molecules*/ |
| 87 |
|
|
| 88 |
< |
double zconsTime_; |
| 88 |
> |
RealType zconsTime_; |
| 89 |
|
std::string zconsOutput_; |
| 90 |
< |
double zconsTol_; |
| 90 |
> |
RealType zconsTol_; |
| 91 |
|
bool usingSMD_; |
| 92 |
< |
double zconsFixingTime_; |
| 93 |
< |
double zconsGap_; |
| 92 |
> |
RealType zconsFixingTime_; |
| 93 |
> |
RealType zconsGap_; |
| 94 |
|
bool usingZconsGap_; |
| 95 |
< |
double dt_; |
| 95 |
> |
RealType dt_; |
| 96 |
|
|
| 97 |
|
const static int whichDirection = 2; |
| 98 |
|
|
| 99 |
|
std::map<int, ZconstraintParam> allZMolIndices_; |
| 100 |
|
|
| 101 |
|
Snapshot* currSnapshot_; |
| 102 |
< |
double currZconsTime_; |
| 102 |
> |
RealType currZconsTime_; |
| 103 |
|
|
| 104 |
< |
double totMassMovingZMols_; |
| 105 |
< |
double totMassUnconsMols_; /**< mass of unconstraint molecules in the whole system (never change) */ |
| 104 |
> |
RealType totMassMovingZMols_; |
| 105 |
> |
RealType totMassUnconsMols_; /**< mass of unconstraint molecules in the whole system (never change) */ |
| 106 |
|
|
| 107 |
|
ZConsWriter* fzOut; |
| 108 |
< |
const double infiniteTime; |
| 108 |
> |
const RealType infiniteTime; |
| 109 |
|
}; |
| 110 |
|
|
| 111 |
|
} |
