36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
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* [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 |
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*/ |
42 |
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|
43 |
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#ifndef MINIMIZERS_MININIZERPARAMETERSET_HPP |
110 |
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return lsMaxIteration; |
111 |
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} |
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 |
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|
121 |
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protected: |
134 |
|
|
135 |
|
RealType lsTol; |
136 |
|
|
137 |
< |
int writeFrq; |
137 |
> |
int writeFreq; |
138 |
|
|
139 |
|
const RealType defaultTolerance; |
140 |
|
|