densitymanager.cc File Reference

#include <stdlib.h>
#include <memory.h>
#include <math.h>
#include "memorymanag.h"
#include "output.h"
#include "densitymanager.h"
#include "pi.h"
#include "integrals_general.h"

Namespaces

namespace  DM

Defines

#define EXPONENT_DIFF_LIMIT   1e-22
#define DISTR_CENTER_DIST_LIMIT   1e-22
#define MAX_DISTR_IN_TEMP_LIST   888
#define MAX_DISTR_IN_TEMP_LIST   888

Functions

long double DM::erf (long double a)
double DM::erf (double a)
float DM::erf (float a)
static ergo_real compute_1d_gaussian_integral_recursive (ergo_real a, ergo_real b, int n, ergo_real alpha)
static ergo_real compute_integral_over_box (DistributionSpecStruct *distr, ergo_real *minVect, ergo_real *maxVect)
ergo_real integrate_density_in_box (int nPrims, DistributionSpecStruct *rho, ergo_real mid_x, ergo_real mid_y, ergo_real mid_z, ergo_real box_width)
ergo_real integrate_density_in_box_2 (int nPrims, DistributionSpecStruct *rho, ergo_real *minVect, ergo_real *maxVect)
int get_no_of_primitives_for_density (ergo_real cutoff, const ergo_real *dmat, const BasisInfoStruct &basisInfo)
static int do_merge_sort_distrs (int n, DistributionSpecStruct *list, DistributionSpecStruct *workList)
int get_density (const BasisInfoStruct &basisInfo, const ergo_real *dmat, ergo_real cutoff, int maxCountRho, DistributionSpecStruct *resultRho)

Define Documentation

#define DISTR_CENTER_DIST_LIMIT   1e-22

#define EXPONENT_DIFF_LIMIT   1e-22

#define MAX_DISTR_IN_TEMP_LIST   888

#define MAX_DISTR_IN_TEMP_LIST   888


Function Documentation

static ergo_real compute_1d_gaussian_integral_recursive ( ergo_real  a,
ergo_real  b,
int  n,
ergo_real  alpha 
) [static]

static ergo_real compute_integral_over_box ( DistributionSpecStruct distr,
ergo_real minVect,
ergo_real maxVect 
) [static]

static int do_merge_sort_distrs ( int  n,
DistributionSpecStruct list,
DistributionSpecStruct workList 
) [static]

int get_density ( const BasisInfoStruct basisInfo,
const ergo_real dmat,
ergo_real  cutoff,
int  maxCountRho,
DistributionSpecStruct resultRho 
)

int get_no_of_primitives_for_density ( ergo_real  cutoff,
const ergo_real dmat,
const BasisInfoStruct basisInfo 
)

ergo_real integrate_density_in_box ( int  nPrims,
DistributionSpecStruct rho,
ergo_real  mid_x,
ergo_real  mid_y,
ergo_real  mid_z,
ergo_real  box_width 
)

ergo_real integrate_density_in_box_2 ( int  nPrims,
DistributionSpecStruct rho,
ergo_real minVect,
ergo_real maxVect 
)


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