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Gromacs
2023.4
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Gromacs
2023.4
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#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. | |
1.8.5