gmx::EnergyFunctionProperties< elecType, vdwType > Struct Template Reference

#include <gromacs/nbnxm/gpu_types_common.h>

Description

template<enum ElecType elecType, enum VdwType vdwType>
struct gmx::EnergyFunctionProperties< elecType, vdwType >

Set of boolean constants mimicking preprocessor macros.

Those are currently used for SYCL and HIP.

Static Public Attributes
static constexpr bool	elecCutoff = (elecType == ElecType::Cut)
	EL_CUTOFF.
static constexpr bool	elecRF = (elecType == ElecType::RF)
	EL_RF.
static constexpr bool	elecEwaldAna
	EL_EWALD_ANA. More...
static constexpr bool	elecEwaldTab
	EL_EWALD_TAB. More...
static constexpr bool	elecEwaldTwin
	Use twin cut-off. More...
static constexpr bool	elecEwald = (elecEwaldAna || elecEwaldTab)
	EL_EWALD_ANY.
static constexpr bool	vdwCombLB = (vdwType == VdwType::CutCombLB)
	LJ_COMB && !LJ_COMB_GEOM.
static constexpr bool	vdwCombGeom = (vdwType == VdwType::CutCombGeom)
	LJ_COMB_GEOM.
static constexpr bool	vdwComb = (vdwCombLB || vdwCombGeom)
	LJ_COMB.
static constexpr bool	vdwEwaldCombGeom = (vdwType == VdwType::EwaldGeom)
	LJ_EWALD_COMB_GEOM.
static constexpr bool	vdwEwaldCombLB = (vdwType == VdwType::EwaldLB)
	LJ_EWALD_COMB_LB.
static constexpr bool	vdwEwald = (vdwEwaldCombGeom || vdwEwaldCombLB)
	LJ_EWALD.
static constexpr bool	vdwFSwitch = (vdwType == VdwType::FSwitch)
	LJ_FORCE_SWITCH.
static constexpr bool	vdwPSwitch = (vdwType == VdwType::PSwitch)
	LJ_POT_SWITCH.

Member Data Documentation

template<enum ElecType elecType, enum VdwType vdwType>

constexpr bool gmx::EnergyFunctionProperties< elecType, vdwType >::elecEwaldAna

static

Initial value:

=
            (elecType == ElecType::EwaldAna || elecType == ElecType::EwaldAnaTwin)

EL_EWALD_ANA.

template<enum ElecType elecType, enum VdwType vdwType>

constexpr bool gmx::EnergyFunctionProperties< elecType, vdwType >::elecEwaldTab

static

Initial value:

=
            (elecType == ElecType::EwaldTab || elecType == ElecType::EwaldTabTwin)

EL_EWALD_TAB.

template<enum ElecType elecType, enum VdwType vdwType>

constexpr bool gmx::EnergyFunctionProperties< elecType, vdwType >::elecEwaldTwin

static

Initial value:

=
            (elecType == ElecType::EwaldAnaTwin || elecType == ElecType::EwaldTabTwin)

Use twin cut-off.

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The documentation for this struct was generated from the following file:

• src/gromacs/nbnxm/gpu_types_common.h