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#include "nonbonded/MAW.hpp" |
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#include "nonbonded/RepulsivePower.hpp" |
| 57 |
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#include "nonbonded/SwitchingFunction.hpp" |
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+ |
#include "flucq/FluctuatingChargeForces.hpp" |
| 59 |
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|
| 60 |
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using namespace std; |
| 61 |
|
|
| 101 |
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Electrostatic* electrostatic_; |
| 102 |
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RepulsivePower* repulsivePower_; |
| 103 |
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MAW* maw_; |
| 104 |
+ |
FluctuatingChargeForces* flucq_; |
| 105 |
|
|
| 106 |
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map<int, AtomType*> typeMap_; |
| 107 |
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/** |
| 120 |
|
*/ |
| 121 |
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vector<vector<set<NonBondedInteraction*> > > interactions_; |
| 122 |
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vector<vector<int> > iHash_; |
| 123 |
+ |
|
| 124 |
+ |
/* sHash_ contains the self-interaction version of iHash_ */ |
| 125 |
+ |
vector<int> sHash_; |
| 126 |
|
}; |
| 127 |
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} |
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#endif |