Gromacs
2022.2
|
#include <gromacs/mdtypes/forceoutput.h>
Force and virial output buffers for use in force computation.
Public Member Functions | |
ForceOutputs (const ForceWithShiftForces &forceWithShiftForces, bool haveForceWithVirial, const ForceWithVirial &forceWithVirial) | |
Constructor. | |
ForceWithShiftForces & | forceWithShiftForces () |
Returns a reference to the force with shift forces object. | |
bool | haveForceWithVirial () const |
Return whether there are forces with direct virial contributions. | |
ForceWithVirial & | forceWithVirial () |
Returns a reference to the force with virial object. | |