gmx::test::anonymous_namespace{pairs.cpp}::OutputQuantities Struct Reference

Description

Output from pairs kernels.

Public Member Functions
	OutputQuantities (int energyGroup)

Public Attributes
gmx_grppairener_t	energy
	Energy of this interaction.
std::vector< real >	dvdLambda
	Derivative with respect to lambda.
rvec	fShift [gmx::detail::c_numIvecs] = { { 0 } }
	Shift vectors.
rvec4	f [c_numAtoms] = { { 0 } }
	Forces.

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

• src/gromacs/listed_forces/tests/pairs.cpp