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Gromacs
2027.0-dev-20261013-cc57a2a
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#include <gromacs/nbnxm/gpu_types_common.h>
Staging area for temporary data downloaded from the GPU.
Public Member Functions | |
| NBStagingData (const HostAllocationPolicy &hostAllocationPolicy, std::optional< size_t > nLambda) | |
Public Attributes | |
| HostVector< float > | eLJ |
| LJ energy. | |
| HostVector< float > | eElec |
| electrostatic energy | |
| HostVector< float > | dvdlLJ |
| dvdl terms | |
| HostVector< float > | dvdlElec |
| HostVector< Float3 > | fShift |
| shift forces | |
| HostVector< float > | eLJForeign |
| foreign lambda terms | |
| HostVector< float > | eElecForeign |
| HostVector< float > | dvdlLJForeign |
| HostVector< float > | dvdlElecForeign |
1.8.5