418 |
|
|
419 |
|
void zeroOutVel(); |
420 |
|
void doZconstraintForce(); |
421 |
< |
void doHarmonic(); |
421 |
> |
void doHarmonic(vector<double>& resPos); |
422 |
|
bool checkZConsState(); |
423 |
|
|
424 |
|
bool haveFixedZMols(); |
449 |
|
|
450 |
|
vector<int> indexOfAllZConsMols; //index of All Z-Constraint Molecuels |
451 |
|
|
452 |
< |
int* indexOfZConsMols; //index of local Z-Constraint Molecules |
453 |
< |
double* fz; |
454 |
< |
double* curZPos; |
452 |
> |
vector<int> indexOfZConsMols; //index of local Z-Constraint Molecules |
453 |
> |
vector<double> fz; |
454 |
> |
vector<double> curZPos; |
455 |
|
|
456 |
+ |
bool usingSMD; |
457 |
+ |
vector<double> cantPos; |
458 |
+ |
vector<double> cantVel; |
459 |
+ |
|
460 |
|
double zconsFixTime; |
461 |
|
double zconsGap; |
462 |
|
bool hasZConsGap; |
475 |
|
double calcSysCOMVel(); |
476 |
|
double calcTotalForce(); |
477 |
|
void updateZPos(); |
478 |
< |
|
478 |
> |
void updateCantPos(); |
479 |
> |
|
480 |
|
ForceSubtractionPolicy* forcePolicy; //force subtraction policy |
481 |
|
friend class ForceSubtractionPolicy; |
482 |
|
|