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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< realdvdLambda
 Derivative with respect to lambda.
 
rvec fShift [gmx::detail::c_numIvecs] = { { 0 } }
 Shift vectors.
 
rvec4 f [c_numAtoms] = { { 0 } }
 Forces.
 

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