62 |
|
double getTemperature(); // gives the instant temp. in K |
63 |
|
|
64 |
|
double getPressure(); // gives the instant pressure in atm; |
65 |
+ |
double getPressureX() { return getPressure(0); } |
66 |
+ |
double getPressureY() { return getPressure(1); } |
67 |
+ |
double getPressureZ() { return getPressure(2); } |
68 |
|
|
69 |
|
Mat3x3d getPressureTensor(); // gives the pressure tensor in amu*fs^-2*Ang^-1 |
70 |
|
double getVolume(); // gives the volume in Ang^3 |
72 |
|
void saveStat(); |
73 |
|
|
74 |
|
private: |
75 |
+ |
double getPressure(int direction); |
76 |
+ |
|
77 |
|
SimInfo* info_; |
78 |
|
}; |
79 |
|
|