getBoundaryCondition() const | stormm::energy::LayeredPotentialMetrics | |
getCoulombConstant() const | stormm::energy::LayeredPotentialMetrics | |
getCutoff(int layer_index) const | stormm::energy::LayeredPotentialMetrics | |
getEwaldCoefficient() const | stormm::energy::LayeredPotentialMetrics | |
getExponentFactor(int factor_index, int layer_index=1) const | stormm::energy::LayeredPotentialMetrics | |
getForm() const | stormm::energy::LayeredPotentialMetrics | |
getLayerCount() const | stormm::energy::LayeredPotentialMetrics | |
getMaximumRange() const | stormm::energy::LayeredPotentialMetrics | |
getMixingRule() const | stormm::energy::LayeredPotentialMetrics | |
getRangeCompounding() const | stormm::energy::LayeredPotentialMetrics | |
getUnitCellVectors() const | stormm::energy::LayeredPotentialMetrics | |
getVdwTransitionIntensity() const | stormm::energy::LayeredPotentialMetrics | |
getVdwTransitionMidpoint() const | stormm::energy::LayeredPotentialMetrics | |
LayeredPotentialMetrics(DecomposablePotential form_in=DecomposablePotential::ELECTROSTATIC, BoundaryCondition boundaries_in=BoundaryCondition::ISOLATED, double coulomb_in=amber_ancient_bioq, VdwCombiningRule mixing_rule_in=VdwCombiningRule::GEOMETRIC, const std::vector< double > &exponent_c_in={ 1.0, 1.5, 2.0 }, double particle_particle_cutoff=5.0, double range_multiplier_in=2.0, double range_limit_in=1000.0, double vdw_transition_midpoint_in=hail_default_vdw_xtn_midpoint, double vdw_transition_intensity_in=hail_default_vdw_xtn_intensity, double ewald_coefficient_in=hail_default_ewald_coefficient, const std::vector< double > &box_vectors_in={ 50.0, 0.0, 0.0, 0.0, 50.0, 0.0, 0.0, 0.0, 50.0 }) | stormm::energy::LayeredPotentialMetrics | |
LayeredPotentialMetrics(const LayeredPotentialMetrics &original)=default | stormm::energy::LayeredPotentialMetrics | |
LayeredPotentialMetrics(LayeredPotentialMetrics &&original)=default (defined in stormm::energy::LayeredPotentialMetrics) | stormm::energy::LayeredPotentialMetrics | |
operator=(const LayeredPotentialMetrics &other)=default (defined in stormm::energy::LayeredPotentialMetrics) | stormm::energy::LayeredPotentialMetrics | |
operator=(LayeredPotentialMetrics &&other)=default (defined in stormm::energy::LayeredPotentialMetrics) | stormm::energy::LayeredPotentialMetrics | |
setBoundaryCondition(BoundaryCondition boundary_in) | stormm::energy::LayeredPotentialMetrics | |
setCoulombConstant(double coulomb_in) | stormm::energy::LayeredPotentialMetrics | |
setCutoff(double cutoff_in) | stormm::energy::LayeredPotentialMetrics | |
setEwaldCoefficient(double ewald_coefficient_in) | stormm::energy::LayeredPotentialMetrics | |
setExponentFactor(int factor_index, double exp_c_in) | stormm::energy::LayeredPotentialMetrics | |
setExponentFactor(const std::vector< double > &exp_c_in) (defined in stormm::energy::LayeredPotentialMetrics) | stormm::energy::LayeredPotentialMetrics | |
setExponentFactor(const double3 exp_c_in) (defined in stormm::energy::LayeredPotentialMetrics) | stormm::energy::LayeredPotentialMetrics | |
setForm(DecomposablePotential form_in) | stormm::energy::LayeredPotentialMetrics | |
setMaximumRange(double range_limit_in) | stormm::energy::LayeredPotentialMetrics | |
setMixingRule(VdwCombiningRule mixing_rule_in) | stormm::energy::LayeredPotentialMetrics | |
setRangeCompounding(double range_multiplier_in) | stormm::energy::LayeredPotentialMetrics | |
setUnitCellVectors(const std::vector< double > &box_vectors_in) | stormm::energy::LayeredPotentialMetrics | |
setVdwTransitionIntensity(double intensity_in) | stormm::energy::LayeredPotentialMetrics | |
setVdwTransitionMidpoint(double midpoint_in) | stormm::energy::LayeredPotentialMetrics | |