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Searched refs:coulombDvdl_ (Results 1 – 3 of 3) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/ewald/
H A Dpme_output.h65 real coulombDvdl_ = 0; member
H A Dpme_gpu.cpp321 enerd->dvdl_lin[efptCOUL] += output.coulombDvdl_; in pme_gpu_reduce_outputs()
H A Dpme_gpu_internal.cpp595 output->coulombDvdl_ = 0.5F in pme_gpu_getEnergyAndVirial()