Gromacs
2024.4
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#include <gromacs/mdtypes/iforceprovider.h>
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 |