integrals_2el_exchange_prep.cc File Reference

#include <cstring>
#include <vector>
#include <pthread.h>
#include "integrals_2el_exchange_prep.h"
#include "utilities.h"
#include "integrals_2el_utils.h"

Classes
struct	neighbor_basisfunc_struct
struct	listsStruct
struct	identify_needed_elements_thread_struct
struct	distr_idxs_and_factor_struct
Typedefs
typedef int *	intPtr
Functions
static int	find_int_in_sorted_list (const int *list, int listLength, int i)
static int	find_int_in_list (const int *list, int listLength, int i)
static void	do_sort_int_list (int *list, int n)
static int	find_doubles_in_sorted_list (const int *list, int n)
static int	merge_lists (const int *list_1, int list_1_len, const int *list_2, int list_2_len, int *resultList)
static int	identify_needed_elements_part (ergo_real threshold, const csr_matrix_struct *dens_CSR, const int noOfNeighborsList[], const neighbor_basisfunc_struct *neighborList, const int maxNoOfNeighbors, int **longList, int *longListCounterList, int myIndex, int noOfParts)
static void *	identify_needed_elements_thread_func (void *arg)
static int	identify_needed_elements (ergo_real threshold, const csr_matrix_struct *dens_CSR, const int noOfNeighborsList[], const neighbor_basisfunc_struct *neighborList, int maxNoOfNeighbors, int **longList, int *longListCounterList, int nThreads)
	Tries to predict which elements of K will be needed.
static int	compare_distr_idxs_and_factor_structs (const void *p1in, const void *p2in)
int	create_CSR_for_K (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, const JK::Params &J_K_params, csr_matrix_struct *dens_CSR, csr_matrix_struct *K_CSR, int symmetryFlag)

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Typedef Documentation

typedef int* intPtr

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Function Documentation

static int compare_distr_idxs_and_factor_structs	(	const void *	p1in,
		const void *	p2in
	)			[static]

int create_CSR_for_K	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo *	integralInfo,
		const JK::Params &	J_K_params,
		csr_matrix_struct *	dens_CSR,
		csr_matrix_struct *	K_CSR,
		int	symmetryFlag
	)

static void do_sort_int_list	(	int *	list,
		int	n
	)			[static]

static int find_doubles_in_sorted_list	(	const int *	list,
		int	n
	)			[static]

static int find_int_in_list	(	const int *	list,
		int	listLength,
		int	i
	)			[static]

static int find_int_in_sorted_list	(	const int *	list,
		int	listLength,
		int	i
	)			[static]

static int identify_needed_elements	(	ergo_real	threshold,
		const csr_matrix_struct *	dens_CSR,
		const int	noOfNeighborsList[],
		const neighbor_basisfunc_struct *	neighborList,
		int	maxNoOfNeighbors,
		int **	longList,
		int *	longListCounterList,
		int	nThreads
	)			[static]

Tries to predict which elements of K will be needed.

Use two different lists, a "long list" and a "short list" for each row of K. The "long list" is always sorted so that we can quickly check if a column index is already present.

static int identify_needed_elements_part	(	ergo_real	threshold,
		const csr_matrix_struct *	dens_CSR,
		const int	noOfNeighborsList[],
		const neighbor_basisfunc_struct *	neighborList,
		const int	maxNoOfNeighbors,
		int **	longList,
		int *	longListCounterList,
		int	myIndex,
		int	noOfParts
	)			[static]

static void* identify_needed_elements_thread_func

(

void *

arg

)

[static]

static int merge_lists	(	const int *	list_1,
		int	list_1_len,
		const int *	list_2,
		int	list_2_len,
		int *	resultList
	)			[static]

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