#include "basisinfo.h"
Go to the source code of this file.
Functions | |
int | get_no_of_primitives_for_density (ergo_real cutoff, const ergo_real *dmat, const BasisInfoStruct &basisInfo) |
int | get_density (const BasisInfoStruct &basisInfo, const ergo_real *dmat, ergo_real cutoff, int maxCountRho, DistributionSpecStruct *resultRho) |
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_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 | |||
) |