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 |
|
*/ |
88 |
|
} |
89 |
|
|
90 |
|
/** |
91 |
< |
* Retunrs reference of the first element of Vector3. |
91 |
> |
* Returns reference of the first element of Vector3. |
92 |
|
* @return reference of the first element of Vector3 |
93 |
|
*/ |
94 |
|
inline Real& x() { return this->data_[0];} |
95 |
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|
96 |
|
/** |
97 |
< |
* Retunrs the first element of Vector3. |
97 |
> |
* Returns the first element of Vector3. |
98 |
|
* @return the first element of Vector3 |
99 |
|
*/ |
100 |
|
inline Real x() const { return this->data_[0];} |
101 |
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|
102 |
|
/** |
103 |
< |
* Retunrs reference of the second element of Vector3. |
103 |
> |
* Returns reference of the second element of Vector3. |
104 |
|
* @return reference of the second element of Vector3 |
105 |
|
*/ |
106 |
|
inline Real& y() { return this->data_[1];} |
107 |
|
|
108 |
|
/** |
109 |
< |
* Retunrs the second element of Vector3. |
109 |
> |
* Returns the second element of Vector3. |
110 |
|
* @return c the second element of Vector3 |
111 |
|
*/ |
112 |
|
inline Real y() const { return this->data_[1];} |
113 |
|
|
114 |
|
/** |
115 |
< |
* Retunrs reference of the third element of Vector3. |
115 |
> |
* Returns reference of the third element of Vector3. |
116 |
|
* @return reference of the third element of Vector3 |
117 |
|
*/ |
118 |
|
inline Real& z() { return this->data_[2];} |
119 |
|
|
120 |
|
/** |
121 |
< |
* Retunrs the third element of Vector3. |
121 |
> |
* Returns the third element of Vector3. |
122 |
|
* @return f the third element of Vector3 |
123 |
|
*/ |
124 |
|
inline Real z() const { return this->data_[2];} |
130 |
|
* @param v1 first vector |
131 |
|
* @param v2 second vector |
132 |
|
* @return the cross product of v1 and v2 |
133 |
– |
* @see #vector::dot |
133 |
|
*/ |
134 |
|
template<typename Real> |
135 |
|
inline Vector3<Real> cross( const Vector3<Real>& v1, const Vector3<Real>& v2 ) { |