nbnxn_kernel_prune.h File Reference

#include "gromacs/math/vectypes.h"
#include "gromacs/utility/real.h"

Include dependency graph for nbnxn_kernel_prune.h:

Description

Declares the pair-list pruning kernel wrapper function.

The wrapper function internally performs the OpenMP parallelization and calls the selected kernel flavor (different SIMD types / C reference).

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Functions
void	nbnxn_kernel_cpu_prune (nonbonded_verlet_group_t *nbvg, const nbnxn_atomdata_t *nbat, const rvec *shift_vec, real rlistInner)
	Prune all pair-lists in the set with distance rlistInner. More...

Function Documentation

void nbnxn_kernel_cpu_prune	(	nonbonded_verlet_group_t *	nbvg,
		const nbnxn_atomdata_t *	nbat,
		const rvec *	shift_vec,
		real	rlistInner
	)

Prune all pair-lists in the set with distance rlistInner.

For all pair-lists in the set takes the outer list and prunes out pairs beyond rlistInner and writes the result to a list that is to be consumed by the non-bonded kernel.