| # | Line 137 | Line 137 | namespace OpenMD { | |
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| 137 | RealType* rho; /**< electron density */ | |
| 138 | RealType* frho; /**< value of density functional for atom */ | |
| 139 | RealType* dfrhodrho; /**< derivative of density functional for atom */ | |
| 140 | + | RealType* flucQ; /**< current value of atom's fluctuating charge */ |
| 141 | + | RealType* dVdFQ; /**< fluctuating charge derivative */ |
| 142 | }; | |
| 143 | ||
| 144 | ||
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