Struct BaseInteraction

• Defined in File base_interaction.hpp

Inheritance Relationships

Derived Types

• private pele::sf_HS_WCA_interaction< 6 > (Template Class sf_HS_WCA_interaction)

• public pele::HS_WCA_interaction (Struct HS_WCA_interaction)

• public pele::HS_halfint_pairwise_power_interaction< POW2 > (Template Struct HS_halfint_pairwise_power_interaction)

• public pele::InverseHalfIntPowerHS_interaction< POW2 > (Template Struct InverseHalfIntPowerHS_interaction)

• public pele::InverseHalfIntPower_interaction< POW2 > (Template Struct InverseHalfIntPower_interaction)

• public pele::InverseIntPowerHS_interaction< POW > (Template Struct InverseIntPowerHS_interaction)

• public pele::InverseIntPower_interaction< POW > (Template Struct InverseIntPower_interaction)

• public pele::InversePowerHS_interaction (Struct InversePowerHS_interaction)

• public pele::InversePowerStillingerQuadCutInteraction (Struct InversePowerStillingerQuadCutInteraction)

• public pele::InversePowerStillingerQuadCutInteractionInt< POW > (Template Struct InversePowerStillingerQuadCutInteractionInt)

• public pele::InversePowerStillinger_cut_interaction (Struct InversePowerStillinger_cut_interaction)

• public pele::InversePowerStillinger_interaction (Struct InversePowerStillinger_interaction)

• public pele::InversePower_interaction (Struct InversePower_interaction)

• public pele::WCA_interaction (Struct WCA_interaction)

• public pele::frenkel_interaction (Struct frenkel_interaction)

• public pele::harmonic_interaction (Struct harmonic_interaction)

• public pele::lj_interaction (Struct lj_interaction)

• public pele::lj_interaction_cut_smooth (Struct lj_interaction_cut_smooth)

• public pele::morse_interaction (Struct morse_interaction)

• private pele::sf_HS_WCA_interaction< exp > (Template Class sf_HS_WCA_interaction)

Struct Documentation

struct BaseInteraction

Subclassed by pele::sf_HS_WCA_interaction< 6 >, pele::HS_WCA_interaction, pele::HS_halfint_pairwise_power_interaction< POW2 >, pele::InverseHalfIntPowerHS_interaction< POW2 >, pele::InverseHalfIntPower_interaction< POW2 >, pele::InverseIntPowerHS_interaction< POW >, pele::InverseIntPower_interaction< POW >, pele::InversePowerHS_interaction, pele::InversePowerStillingerQuadCutInteraction, pele::InversePowerStillingerQuadCutInteractionInt< POW >, pele::InversePowerStillinger_cut_interaction, pele::InversePowerStillinger_interaction, pele::InversePower_interaction, pele::WCA_interaction, pele::frenkel_interaction, pele::harmonic_interaction, pele::lj_interaction, pele::lj_interaction_cut_smooth, pele::morse_interaction, pele::sf_HS_WCA_interaction< exp >

Public Functions

inline virtual double energy(const double r2, const double dij) const

inline virtual double energy_gradient(

const double r2,

double *const gij,

const double dij

) const

inline virtual double energy_gradient_hessian(

const double r2,

double *const gij,

double *const hij,

const double dij

) const