| 35 |
|
* |
| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 107 |
|
return *this; |
| 108 |
|
} |
| 109 |
|
|
| 110 |
< |
template<typename T> |
| 111 |
< |
inline Vector(const T& s){ |
| 110 |
> |
// template<typename T> |
| 111 |
> |
// inline Vector(const T& s){ |
| 112 |
> |
inline Vector(const Real& s) { |
| 113 |
|
for (unsigned int i = 0; i < Dim; i++) |
| 114 |
< |
this->data_[i] = s; |
| 114 |
> |
this->data_[i] = s; |
| 115 |
|
} |
| 116 |
|
|
| 117 |
|
/** Constructs and initializes a Vector from an array */ |
| 196 |
|
inline bool operator !=(const Vector<Real, Dim>& v) { |
| 197 |
|
return !(*this == v); |
| 198 |
|
} |
| 199 |
+ |
|
| 200 |
+ |
/** Zeros out the values in this vector in place */ |
| 201 |
+ |
inline void zero() { |
| 202 |
+ |
for (unsigned int i = 0; i < Dim; i++) |
| 203 |
+ |
this->data_[i] = 0; |
| 204 |
+ |
} |
| 205 |
|
|
| 206 |
|
/** Negates the value of this vector in place. */ |
| 207 |
|
inline void negate() { |