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gmx::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 [((2 *1+1)*(2 *1+1)*(2 *2+1))] = { { 0 } }
 Shift vectors.
 
rvec4 f [c_numAtoms] = { { 0 } }
 Forces.
 

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