Gromacs  2021.3
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em_state Struct Reference
+ Collaboration diagram for em_state:

Description

Utility structure for manipulating states during EM.

Public Attributes

t_state s
 Copy of the global state.
 
gmx::ForceBuffers f
 Force array.
 
real epot
 Potential energy.
 
real fnorm
 Norm of the force.
 
real fmax
 Maximum force.
 
int a_fmax
 Direction.
 

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