//==================================================================================================================== int invert(DenseMatrix& A, size_t nn) { integer n = static_cast<int>(nn != npos ? nn : A.nRows()); int info=0; ct_dgetrf(n, n, A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], info); if (info != 0) { if (A.m_printLevel) { writelogf("invert(DenseMatrix& A, int nn): DGETRS returned INFO = %d\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("invert(DenseMatrix& A, int nn)", "DGETRS returned INFO = "+int2str(info)); } return info; } vector_fp work(n); integer lwork = static_cast<int>(work.size()); ct_dgetri(n, A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], &work[0], lwork, info); if (info != 0) { if (A.m_printLevel) { writelogf("invert(DenseMatrix& A, int nn): DGETRS returned INFO = %d\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("invert(DenseMatrix& A, int nn)", "DGETRI returned INFO="+int2str(info)); } } return info; }
//==================================================================================================================== int solve(DenseMatrix& A, DenseMatrix& b) { int info = 0; if (A.nColumns() != A.nRows()) { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, DenseMatrix& b): Can only solve a square matrix\n"); } if (! A.m_useReturnErrorCode) { throw CELapackError("solve(DenseMatrix& A, DenseMatrix& b)", "Can only solve a square matrix"); } return -1; } ct_dgetrf(static_cast<int>(A.nRows()), static_cast<int>(A.nColumns()), A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], info); if (info != 0) { if (info > 0) { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, DenseMatrix& b): DGETRF returned INFO = %d U(i,i) is exactly zero. The factorization has" " been completed, but the factor U is exactly singular, and division by zero will occur if " "it is used to solve a system of equations.\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("solve(DenseMatrix& A, DenseMatrix& b)", "DGETRF returned INFO = "+int2str(info) + ". U(i,i) is exactly zero. The factorization has" " been completed, but the factor U is exactly singular, and division by zero will occur if " "it is used to solve a system of equations."); } } else { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, DenseMatrix& b): DGETRF returned INFO = %d. The argument i has an illegal value\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("solve(DenseMatrix& A, DenseMatrix& b)", "DGETRF returned INFO = "+int2str(info) + ". The argument i has an illegal value"); } } return info; } ct_dgetrs(ctlapack::NoTranspose, static_cast<int>(A.nRows()), static_cast<int>(b.nColumns()), A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], b.ptrColumn(0), static_cast<int>(b.nRows()), info); if (info != 0) { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, DenseMatrix& b): DGETRS returned INFO = %d\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("solve(DenseMatrix& A, DenseMatrix& b)", "DGETRS returned INFO = "+int2str(info)); } } return info; }
int solve(DenseMatrix& A, DenseMatrix& b) { int info=0; ct_dgetrf(static_cast<int>(A.nRows()), static_cast<int>(A.nColumns()), A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], info); if (info != 0) throw CanteraError("DenseMatrix::solve", "DGETRF returned INFO = "+int2str(info)); ct_dgetrs(ctlapack::NoTranspose, static_cast<int>(A.nRows()), static_cast<int>(b.nColumns()), A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], b.ptrColumn(0), static_cast<int>(b.nRows()), info); if (info != 0) throw CanteraError("DenseMatrix::solve", "DGETRS returned INFO = "+int2str(info)); return 0; }
int invert(DenseMatrix& A, int nn) { integer n = (nn > 0 ? nn : static_cast<int>(A.nRows())); int info=0; ct_dgetrf(n, n, A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], info); if (info != 0) throw CanteraError("invert", "DGETRF returned INFO="+int2str(info)); vector_fp work(n); integer lwork = static_cast<int>(work.size()); ct_dgetri(n, A.ptrColumn(0), static_cast<int>(A.nRows()), &A.ipiv()[0], &work[0], lwork, info); if (info != 0) throw CanteraError("invert", "DGETRI returned INFO="+int2str(info)); return 0; }
/** @todo fix lwork */ int leastSquares(DenseMatrix& A, double* b) { int info = 0; int rank = 0; double rcond = -1.0; // fix this! int lwork = 6000; // 2*(3*min(m,n) + max(2*min(m,n), max(m,n))); vector_fp work(lwork); vector_fp s(min(static_cast<int>(A.nRows()), static_cast<int>(A.nColumns()))); ct_dgelss(static_cast<int>(A.nRows()), static_cast<int>(A.nColumns()), 1, A.ptrColumn(0), static_cast<int>(A.nRows()), b, static_cast<int>(A.nColumns()), &s[0], //.begin(), rcond, rank, &work[0], work.size(), info); if (info != 0) throw CanteraError("DenseMatrix::leaseSquares", "DGELSS returned INFO = "+int2str(info)); return 0; }
/** @todo fix lwork */ int leastSquares(DenseMatrix& A, double* b) { int info = 0; int rank = 0; double rcond = -1.0; // fix this! int lwork = 6000; // 2*(3*min(m,n) + max(2*min(m,n), max(m,n))); vector_fp work(lwork); vector_fp s(min(static_cast<int>(A.nRows()), static_cast<int>(A.nColumns()))); ct_dgelss(static_cast<int>(A.nRows()), static_cast<int>(A.nColumns()), 1, A.ptrColumn(0), static_cast<int>(A.nRows()), b, static_cast<int>(A.nColumns()), &s[0], //.begin(), rcond, rank, &work[0], work.size(), info); if (info != 0) { if (A.m_printLevel) { writelogf("leastSquares(): DGELSS returned INFO = %d\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("leastSquares()", "DGELSS returned INFO = " + int2str(info)); } } return info; }
//==================================================================================================================== void increment(const DenseMatrix& A, const double* b, double* prod) { ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, static_cast<int>(A.nRows()), static_cast<int>(A.nRows()), 1.0, A.ptrColumn(0), static_cast<int>(A.nRows()), b, 1, 1.0, prod, 1); }
//==================================================================================================================== void multiply(const DenseMatrix& A, const double* const b, double* const prod) { ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, static_cast<int>(A.nRows()), static_cast<int>(A.nColumns()), 1.0, A.ptrColumn(0), static_cast<int>(A.nRows()), b, 1, 0.0, prod, 1); }
int solve(DenseMatrix& A, DenseMatrix& b) { return solve(A, b.ptrColumn(0), b.nColumns(), b.nRows()); }