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energydata.h File Reference
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/state.h"
#include "modularsimulatorinterfaces.h"
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Description

Declares the energy element for the modular simulator.

Author
Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com

This header is only used within the modular simulator module

Classes

class  gmx::EnergyData
 Data class managing energies. More...
 
class  gmx::EnergyData::Element
 Element for EnergyData. More...