em_state_t Struct Reference

Collaboration diagram for em_state_t:

Description

Utility structure for manipulating states during EM.

Public Attributes
t_state	s
	Copy of the global state.
PaddedRVecVector	f
	Force array.
real	epot
	Potential energy.
real	fnorm
	Norm of the force.
real	fmax
	Maximum force.
int	a_fmax
	Direction.

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

• src/gromacs/mdlib/minimize.cpp