BOOTIL_EXPORT bool Floats( const BString & str, float* f, int iCount ) { String::List lst; String::Util::Split( str, " ", lst ); if ( lst.size() != iCount ) { return false; } for ( int i = 0; i < iCount; i++ ) { f[i] = String::To::Float( lst[i] ); } return true; }
void diagonal2(const String::List<Index> &alpha, const String &beta, const mpqc::Matrix &V, mpqc::Vector &d) { //MPQC_PROFILE_LINE; const auto &b = beta.occ(); BOOST_FOREACH (auto j, b) { size_t jj = index(j,j); auto const &Vj = V.col(jj); for (int k = 0; k < alpha.size(); ++k) { double q = 0; const auto &a = alpha[k].occ(); BOOST_FOREACH (auto i, a) { size_t ii = index(i,i); q += Vj(i); } d(k) += q; }