| 70 |
|
TEMPERATURE, |
| 71 |
|
PRESSURE, |
| 72 |
|
VOLUME, |
| 73 |
+ |
HULLVOLUME, |
| 74 |
+ |
GYRVOLUME, |
| 75 |
|
CONSERVED_QUANTITY, |
| 76 |
|
TRANSLATIONAL_KINETIC, |
| 77 |
|
ROTATIONAL_KINETIC, |
| 82 |
|
BOND_POTENTIAL, |
| 83 |
|
BEND_POTENTIAL, |
| 84 |
|
DIHEDRAL_POTENTIAL, |
| 85 |
< |
IMPROPER_POTENTIAL, |
| 85 |
> |
INVERSION_POTENTIAL, |
| 86 |
|
VRAW, |
| 87 |
|
VHARM, |
| 88 |
< |
PRESSURE_TENSOR_X, |
| 89 |
< |
PRESSURE_TENSOR_Y, |
| 90 |
< |
PRESSURE_TENSOR_Z, |
| 88 |
> |
PRESSURE_TENSOR_XX, |
| 89 |
> |
PRESSURE_TENSOR_XY, |
| 90 |
> |
PRESSURE_TENSOR_XZ, |
| 91 |
> |
PRESSURE_TENSOR_YX, |
| 92 |
> |
PRESSURE_TENSOR_YY, |
| 93 |
> |
PRESSURE_TENSOR_YZ, |
| 94 |
> |
PRESSURE_TENSOR_ZX, |
| 95 |
> |
PRESSURE_TENSOR_ZY, |
| 96 |
> |
PRESSURE_TENSOR_ZZ, |
| 97 |
> |
BOX_DIPOLE_X, |
| 98 |
> |
BOX_DIPOLE_Y, |
| 99 |
> |
BOX_DIPOLE_Z, |
| 100 |
|
ENDINDEX //internal use |
| 101 |
|
}; |
| 102 |
|
|
| 103 |
|
Stats(); |
| 104 |
< |
const double& operator [](int index) const { |
| 104 |
> |
const RealType& operator [](int index) const { |
| 105 |
|
assert(index >=0 && index < ENDINDEX); |
| 106 |
|
return data_[index]; |
| 107 |
|
} |
| 108 |
|
|
| 109 |
< |
double& operator [](int index){ |
| 109 |
> |
RealType& operator [](int index){ |
| 110 |
|
assert(index >=0 && index < ENDINDEX); |
| 111 |
|
return data_[index]; |
| 112 |
|
} |
| 135 |
|
private: |
| 136 |
|
static void init(); |
| 137 |
|
static bool isInit_; |
| 138 |
< |
double data_[ENDINDEX - BEGININDEX]; |
| 138 |
> |
RealType data_[ENDINDEX - BEGININDEX]; |
| 139 |
|
static std::string title_[ENDINDEX - BEGININDEX]; |
| 140 |
|
static std::string units_[ENDINDEX - BEGININDEX]; |
| 141 |
|
Mat3x3d tau_; |