28 #ifndef INTEGRALS_GENERAL_HEADER 29 #define INTEGRALS_GENERAL_HEADER 34 #ifndef BASIS_FUNC_POLY_MAX_DEGREE 35 #error The constant BASIS_FUNC_POLY_MAX_DEGREE must be defined. 37 #if BASIS_FUNC_POLY_MAX_DEGREE<6 int get_product_simple_primitives(const BasisInfoStruct &basisInfoA, int iA, const BasisInfoStruct &basisInfoB, int iB, DistributionSpecStruct resultList[], int maxCount, ergo_real threshold)
Definition: integrals_general.cc:259
double ergo_real
Definition: realtype.h:53
ergo_real get_max_basis_func_abs_value(const BasisInfoStruct &basisInfo)
Computes an estimate for the largest absolute value that any basis function takes.
Definition: integrals_general.cc:372
int get_product_simple_prims(const DistributionSpecStruct &primA, const DistributionSpecStruct &primB, DistributionSpecStruct resultList[], int maxCount, ergo_real threshold)
Definition: integrals_general.cc:82
ergo_real compute_integral_of_simple_prim(DistributionSpecStruct *distr)
Definition: integrals_general.cc:309
int get_basis_func_extent_list(const BasisInfoStruct &basisInfo, ergo_real *basisFuncExtentList, ergo_real maxAbsValue)
Computes an "extent" for each basis function in the basis set.
Definition: integrals_general.cc:396
int multiply_polynomials(ergo_real result[], polydeg1struct *polydeg1, int dim, ergo_real a[])
Definition: integrals_general.cc:51
Definition: basisinfo.h:111
ergo_real a1
Definition: integrals_general.h:45
ergo_real get_largest_simple_integral(const BasisInfoStruct &basisInfo)
Computes the largest integral of any primitive in the basis set, when any x y z factors are ignored...
Definition: integrals_general.cc:337
Definition: integrals_general.h:43
const int POLY_PRODUCT_MAX_DISTRS
Definition: integrals_general.h:38
Definition: basisinfo.h:43
ergo_real a0
Definition: integrals_general.h:44