gmx::GpuFepHostData Struct Reference

#include <gromacs/nbnxm/gpu_types_common.h>

Description

GPU FEP Host Buffers.

Public Member Functions
	GpuFepHostData (const HostAllocationPolicy &hostAllocationPolicy)

Public Attributes
HostVector< float >	allLambdaCoul
HostVector< float >	allLambdaVdw
std::vector< int >	atomIndicesInv
HostVector< int >	iinrHost
HostVector< int >	jjnrHost
HostVector< int >	jIndexHost
HostVector< int >	shiftHost
HostVector< int >	exclFepHost
HostVector< int >	atomTypes4Host
	atom typeA&B indices, size numAtoms, only in FEP
HostVector< float >	ljComb4Host
	sqrt(c6),sqrt(c12) for stateA&B, size numAtoms, only in FEP
HostVector< float >	q4Host
	atom charge(A&B), size numAtoms, only in FEP

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

• src/gromacs/nbnxm/gpu_types_common.h