short_range_cabana_helpers.hpp File Reference

#include <config/config.hpp>
#include "PropagationMode.hpp"
#include "aosoa_pack.hpp"
#include "nonbonded_interactions/nonbonded_interaction_data.hpp"
#include <Kokkos_Core.hpp>

Include dependency graph for short_range_cabana_helpers.hpp:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Functions
ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION bool	gay_berne_configured (IA_parameters const &ia_params)
ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION bool	gay_berne_active (double dist, IA_parameters const &ia_params)
ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION bool	dpd_active (IA_parameters const &ia_params, int thermo_switch)
KOKKOS_INLINE_FUNCTION bool	thole_active (IA_parameters const &ia_params, bool has_coulomb_kernel)

Function Documentation

dpd_active()

ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION bool dpd_active	(	IA_parameters const &	ia_params,
		int	thermo_switch
	)

Definition at line 48 of file short_range_cabana_helpers.hpp.

References IA_parameters::active_pair_mask, DPD, pair_potential_bit(), and THERMO_DPD.

Referenced by ForcesKernel::operator()(), and PressureKernel::operator()().

gay_berne_active()

ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION bool gay_berne_active	(	double	dist,
		IA_parameters const &	ia_params
	)

Definition at line 40 of file short_range_cabana_helpers.hpp.

References GayBerne_Parameters::cut, IA_parameters::gay_berne, and gay_berne_configured().

Referenced by EnergyKernel::operator()(), ForcesKernel::operator()(), and PressureKernel::operator()().

gay_berne_configured()

ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION bool gay_berne_configured

(

IA_parameters const &

ia_params

)

Definition at line 35 of file short_range_cabana_helpers.hpp.

References IA_parameters::active_pair_mask, GayBerne, and pair_potential_bit().

Referenced by gay_berne_active().

thole_active()

KOKKOS_INLINE_FUNCTION bool thole_active	(	IA_parameters const &	ia_params,
		bool	has_coulomb_kernel
	)

Definition at line 56 of file short_range_cabana_helpers.hpp.

References Thole_Parameters::q1q2, Thole_Parameters::scaling_coeff, and IA_parameters::thole.

Referenced by EnergyKernel::operator()(), ForcesKernel::operator()(), and PressureKernel::operator()().