| 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). |
| 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 |
|
#ifndef MINIMIZERS_MININIZERPARAMETERSET_HPP |
| 110 |
|
return lsMaxIteration; |
| 111 |
|
} |
| 112 |
|
|
| 113 |
< |
void setWriteFrq(int frq) { |
| 114 |
< |
writeFrq = frq; |
| 113 |
> |
void setWriteFreq(int freq) { |
| 114 |
> |
writeFreq = freq; |
| 115 |
|
} |
| 116 |
|
|
| 117 |
< |
int getWriteFrq() { |
| 118 |
< |
return writeFrq; |
| 117 |
> |
int getWriteFreq() { |
| 118 |
> |
return writeFreq; |
| 119 |
|
} |
| 120 |
|
|
| 121 |
|
protected: |
| 134 |
|
|
| 135 |
|
RealType lsTol; |
| 136 |
|
|
| 137 |
< |
int writeFrq; |
| 137 |
> |
int writeFreq; |
| 138 |
|
|
| 139 |
|
const RealType defaultTolerance; |
| 140 |
|
|