Gromacs  2024.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
em_state Struct Reference
+ Collaboration diagram for em_state:


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

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