72 std::vector<int> monomialIntsAdd = std::vector<int>(3, 0));
double ergo_real
Definition: realtype.h:69
Code for setting up basis functions starting from shells.
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)
Definition: densitymanager.cc:115
Definition: basisinfo.h:50
Definition: basisinfo.h:112
int get_no_of_primitives_for_density(ergo_real cutoff, const ergo_real *dmat, const BasisInfoStruct &basisInfo)
Definition: densitymanager.cc:157
ergo_real integrate_density_in_box_2(int nPrims, DistributionSpecStruct *rho, ergo_real *minVect, ergo_real *maxVect, std::vector< int > monomialIntsAdd=std::vector< int >(3, 0))
Definition: densitymanager.cc:140
int get_density(const BasisInfoStruct &basisInfo, const ergo_real *dmat, ergo_real cutoff, int maxCountRho, DistributionSpecStruct *resultRho)
Definition: densitymanager.cc:335