#include "basisinfo.h"
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Functions | |
int | compute_h_core_matrix_full (const IntegralInfo &integralInfo, const BasisInfoStruct &basisInfo, int nAtoms, const Atom *atomList, ergo_real *result, ergo_real threshold) |
int compute_h_core_matrix_full | ( | const IntegralInfo & | integralInfo, | |
const BasisInfoStruct & | basisInfo, | |||
int | nAtoms, | |||
const Atom * | atomList, | |||
ergo_real * | result, | |||
ergo_real | threshold | |||
) |