domdec_vsite.h File Reference

#include "gromacs/utility/arrayref.h"

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Description

This file declares functions for domdec to use while managing virtual sites.

Author

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

Functions
void	dd_clear_local_vsite_indices (struct gmx_domdec_t *dd)
	Clears the local indices for the virtual site communication setup.
int	dd_make_local_vsites (struct gmx_domdec_t *dd, int at_start, gmx::ArrayRef< InteractionList > lil)
	Sets up communication and atom indices for all local vsites.
void	init_domdec_vsites (struct gmx_domdec_t *dd, int n_intercg_vsite)
	Initializes the data structures for virtual site communication.