36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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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 IO_DUMPWRITER_HPP |
94 |
|
std::string eorFilename_; |
95 |
|
bool needCompression_; |
96 |
|
bool needForceVector_; |
97 |
+ |
bool needParticlePot_; |
98 |
+ |
bool needFlucQ_; |
99 |
+ |
bool needElectricField_; |
100 |
|
bool createDumpFile_; |
101 |
|
}; |
102 |
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