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

Description

Output from bonded kernels.

Todo:

Later this might turn into the actual output struct.

Public Attributes
real	energy = 0
	Energy of this interaction.
real	dvdlambda = 0
	Derivative with respect to lambda.
rvec	fshift [c_numShiftVectors] = { { 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/bonded.cpp