35 |
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* |
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 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
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*/ |
54 |
|
const std::string& sele2) |
55 |
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: StaticAnalyser(info, filename), selectionScript1_(sele1), |
56 |
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selectionScript2_(sele2), evaluator1_(info), evaluator2_(info), |
57 |
< |
seleMan1_(info), seleMan2_(info), common_(info), |
58 |
< |
sele1_minus_common_(info), sele2_minus_common_(info) { |
57 |
> |
seleMan1_(info), seleMan2_(info), sele1_minus_common_(info), |
58 |
> |
sele2_minus_common_(info), common_(info) { |
59 |
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|
60 |
|
evaluator1_.loadScriptString(sele1); |
61 |
|
evaluator2_.loadScriptString(sele2); |