Gromacs  2025.3
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gmx::INNPotModel Member List

This is the complete list of members for gmx::INNPotModel, including all inherited members.

evaluateModel()=0gmx::INNPotModelpure virtual
getOutputs(std::vector< int > &, gmx_enerdata_t &, const ArrayRef< RVec > &)=0gmx::INNPotModelpure virtual
initModel()=0gmx::INNPotModelpure virtual
outputsForces() const =0gmx::INNPotModelpure virtual
prepareAtomNumbers(std::vector< int > &)=0 (defined in gmx::INNPotModel)gmx::INNPotModelpure virtual
prepareAtomPositions(std::vector< RVec > &)=0gmx::INNPotModelpure virtual
prepareBox(matrix &)=0 (defined in gmx::INNPotModel)gmx::INNPotModelpure virtual
preparePbcType(PbcType &)=0 (defined in gmx::INNPotModel)gmx::INNPotModelpure virtual
setCommRec(const t_commrec *)=0gmx::INNPotModelpure virtual