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). |
39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
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 |
|
*/ |
42 |
|
|
43 |
|
#include <cstdlib> |
63 |
|
|
64 |
|
void CubicLattice::setLatticeConstant(const std::vector<RealType>& lc){ |
65 |
|
|
66 |
< |
if(lc.size() < 1){ |
67 |
< |
std::cerr << "CubicLattice::setLatticeConstant Error: the size of lattice constant vector is 0" << std::endl; |
66 |
> |
if(lc.empty()){ |
67 |
> |
std::cerr << "CubicLattice::setLatticeConstant Error: the lattice constant vector is empty" << std::endl; |
68 |
|
exit(1); |
69 |
|
} |
70 |
|
else if (lc.size() > 1){ |