# | Line 50 | Line 50 | namespace OpenMD { | |
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50 | class FluctuatingChargeConstraints { | |
51 | public: | |
52 | FluctuatingChargeConstraints(SimInfo* info); | |
53 | + | void setConstrainRegions(bool cr); |
54 | void applyConstraints(); | |
55 | ||
56 | protected: | |
57 | SimInfo* info_; | |
58 | bool hasFlucQ_; | |
59 | + | bool constrainRegions_; |
60 | + | std::vector<int> regionKeys_; |
61 | + | std::vector<RealType> regionForce_; |
62 | + | std::vector<int> regionCharges_; |
63 | }; | |
64 | } | |
65 | #endif |
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