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DistributedMatrix< double > | madness::distributed_localize_PM (World &world, const vecfuncT &mo, const vecfuncT &ao, const std::vector< int > &set, const std::vector< int > &at_to_bf, const std::vector< int > &at_nbf, const double thresh, const double thetamax, const bool randomize, const bool doprint) |
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void | madness::drot (long n, double *MADNESS_RESTRICT a, double *MADNESS_RESTRICT b, double s, double c, long inc) |
| Simple (?) version of BLAS-1 DROT(N, DX, INCX, DY, INCY, DC, DS)
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template<typename T , std::size_t NDIM> |
void | madness::matrix_inner (DistributedMatrix< T > &A, const std::vector< Function< T, NDIM > > &f, const std::vector< Function< T, NDIM > > &g, bool sym=false) |
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static double | madness::PM_q (const tensorT &S, const double *MADNESS_RESTRICT Ci, const double *MADNESS_RESTRICT Cj, int lo, int nbf) |
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