Exemple #1
0
/*! \brief Calculate parameters for the symmetric cell list
 *
 * \param[in] dom Simulation domain
 * \param[out] cd_sm This cell-decomposer is set according to the needed division
 * \param[in] g Ghost part extension
 * \param[out] pad required padding for the cell-list
 *
 * \return the processor bounding box
 */
template<unsigned int dim, typename St> static inline void cl_param_calculateSym(const Box<dim,St> & dom, CellDecomposer_sm<dim,St,shift<dim,St>> & cd_sm, Ghost<dim,St> g, size_t & pad)
{
	size_t div[dim];

	for (size_t i = 0 ; i < dim ; i++)
		div[i] = (dom.getHigh(i) - dom.getLow(i)) / g.getHigh(i);

	g.magnify(1.013);

	pad = 1;

	cd_sm.setDimensions(dom,div,pad);
}
Exemple #2
0
/*! \brief Calculate parameters for the symmetric cell list
 *
 * \param[in] dom Simulation domain
 * \param[output] cd_sm This cell-decomposer is set according to the needed division
 * \param[in] g Ghost dimensions
 * \param[output] pad required padding for the cell-list
 *
 * \return the processor bounding box
 */
template<unsigned int dim, typename St> static inline void cl_param_calculateSym(const Box<dim,St> & dom, CellDecomposer_sm<dim,St,shift<dim,St>> & cd_sm, Ghost<dim,St> g, St r_cut, size_t & pad)
{
	size_t div[dim];

	for (size_t i = 0 ; i < dim ; i++)
		div[i] = (dom.getHigh(i) - dom.getLow(i)) / r_cut;

	g.magnify(1.013);

	// Calculate the maximum padding
	for (size_t i = 0 ; i < dim ; i++)
	{
		size_t tmp = std::ceil(fabs(g.getLow(i)) / r_cut);
		pad = (pad > tmp)?pad:tmp;

		tmp = std::ceil(fabs(g.getHigh(i)) / r_cut);
		pad = (pad > tmp)?pad:tmp;
	}

	cd_sm.setDimensions(dom,div,pad);
}