71 |
|
maxIterNum_ = maxIter; |
72 |
|
} |
73 |
|
|
74 |
< |
double getTauThermostat() { |
74 |
> |
RealType getTauThermostat() { |
75 |
|
return tauThermostat_; |
76 |
|
} |
77 |
|
|
78 |
< |
void setTauThermostat(double tt) { |
78 |
> |
void setTauThermostat(RealType tt) { |
79 |
|
tauThermostat_ = tt; |
80 |
|
} |
81 |
|
|
82 |
< |
double getTargetTemp() { |
82 |
> |
RealType getTargetTemp() { |
83 |
|
return targetTemp_; |
84 |
|
} |
85 |
|
|
86 |
< |
void setTargetTemp(double tt) { |
86 |
> |
void setTargetTemp(RealType tt) { |
87 |
|
targetTemp_ = tt; |
88 |
|
} |
89 |
|
|
90 |
< |
double getChiTolerance() { |
90 |
> |
RealType getChiTolerance() { |
91 |
|
return chiTolerance_; |
92 |
|
} |
93 |
|
|
94 |
< |
void setChiTolerance(double tol) { |
94 |
> |
void setChiTolerance(RealType tol) { |
95 |
|
chiTolerance_ = tol; |
96 |
|
} |
97 |
|
|
102 |
|
virtual void moveB(); |
103 |
|
|
104 |
|
virtual void doUpdate() ; |
105 |
< |
|
105 |
> |
|
106 |
> |
virtual void resetIntegrator(); |
107 |
> |
|
108 |
|
private: |
109 |
< |
virtual double calcConservedQuantity(); |
109 |
> |
virtual RealType calcConservedQuantity(); |
110 |
|
|
111 |
|
int maxIterNum_; |
112 |
< |
double targetTemp_; |
113 |
< |
double tauThermostat_; |
114 |
< |
double chiTolerance_; |
112 |
> |
RealType targetTemp_; |
113 |
> |
RealType tauThermostat_; |
114 |
> |
RealType chiTolerance_; |
115 |
|
|
116 |
|
std::vector<Vector3d> oldVel_; |
117 |
|
std::vector<Vector3d> oldJi_; |