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Gromacs
2025.3
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#include <gromacs/mdtypes/iforceprovider.h>
Collaboration diagram for gmx::ForceProviderOutput:Helper struct bundling the output data of a force provider.
Same as for the ForceProviderInput class, but these variables can be written as well.
Public Member Functions | |
| ForceProviderOutput (ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd) | |
| Constructor assembles all necessary force provider output data. More... | |
Public Attributes | |
| ForceWithVirial & | forceWithVirial_ |
| Container for force and virial. | |
| gmx_enerdata_t & | enerd_ |
| Structure containing energy data. | |
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inline |
Constructor assembles all necessary force provider output data.
| [in,out] | forceWithVirial | Container for force and virial |
| [in,out] | enerd | Structure containing energy data |
1.8.5