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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) |
Function Documentation
References BasisInfoStruct::noOfBasisFuncs, MAX_DISTR_IN_TEMP_LIST, get_product_simple_primitives(), do_output(), LOG_CAT_ERROR, LOG_AREA_MAIN, DistributionSpecStruct_::coeff, ergo_malloc(), do_merge_sort_distrs(), EXPONENT_DIFF_LIMIT, DISTR_CENTER_DIST_LIMIT, pi, and ergo_free().