ergo
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#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 | ||
) |
References DistributionSpecStruct_::coeff, do_output(), get_product_simple_primitives(), LOG_AREA_MAIN, LOG_CAT_ERROR, MAX_DISTR_IN_TEMP_LIST, and BasisInfoStruct::noOfBasisFuncs.
Referenced by do_density_images().
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 | ||
) |
References compute_integral_over_box().
ergo_real integrate_density_in_box_2 | ( | int | nPrims, |
DistributionSpecStruct * | rho, | ||
ergo_real * | minVect, | ||
ergo_real * | maxVect | ||
) |
References compute_integral_over_box().
Referenced by do_density_images().