Gromacs
2025-dev-20240502-0c5c98a
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#include <gromacs/nbnxm/simd_kernel.h>
Specialized EnergyAccumulator getter for multiple energy groups output.
Public Member Functions | |
gmx_unused | EnergyAccumulatorGetter (nbnxn_atomdata_output_t *out) |
gmx_unused EnergyAccumulator < true, true > & | get () |