| # | Line 88 | Line 88 | namespace OpenMD { | |
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| 88 | RealType* vdwMult; /**< multiplier for van der Waals interactions */ | |
| 89 | RealType* electroMult; /**< multiplier for electrostatic interactions */ | |
| 90 | potVec* pot; /**< total potential */ | |
| 91 | + | potVec* excludedPot; /**< potential energy excluded from the overall calculation */ |
| 92 | RealType* vpair; /**< pair potential */ | |
| 93 | bool doParticlePot; /**< should we bother with the particle pot? */ | |
| 94 | RealType* particlePot1; /**< pointer to particle potential for atom1 */ | |
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