ergo
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#include "basisinfo.h"
Go to the source code of this file.
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 | ||
) |
References BasisInfoStruct::noOfBasisFuncs, do_output(), LOG_CAT_INFO, LOG_AREA_INTEGRALS, compute_T_matrix_full(), LOG_CAT_ERROR, and compute_V_matrix_full().
Referenced by compute_h_core_matrix_simple_dense().