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votca 2026-dev
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LAPACK routines of Apple Accelerate, called directly. More...
Functions | |
| bool | LapackAvailable () |
| Whether the routines below can run here (Accelerate build, macOS 13.3+). | |
| int | dsyevd (char jobz, char uplo, long n, double *a, long lda, double *w) |
| int | dpotrf (char uplo, long n, double *a, long lda) |
| Cholesky factorisation of a symmetric positive definite matrix. | |
| int | dpotri (char uplo, long n, double *a, long lda) |
| Inverse from the Cholesky factor of dpotrf (one triangle). | |
Variables | |
| constexpr int | kAccelerateUnavailable = -1000 |
LAPACK routines of Apple Accelerate, called directly.
Accelerate has no LAPACKE, so Eigen only takes its BLAS (EIGEN_USE_BLAS); the large eigensolvers and Cholesky factorisations call Accelerate's own LAPACK (the interface of macOS 13.3 and later) through these wrappers. They live in a file that does not include Eigen, so Accelerate's declarations never meet the BLAS prototypes Eigen declares itself.
Column-major double matrices, leading dimension lda. Each function returns the LAPACK info (0 on success), or kAccelerateUnavailable when this build or this macOS has no Accelerate LAPACK; callers then use their other path.
| int votca::xtp::accelerate::dpotrf | ( | char | uplo, |
| long | n, | ||
| double * | a, | ||
| long | lda ) |
Cholesky factorisation of a symmetric positive definite matrix.
Definition at line 112 of file accelerate_lapack.cc.
| int votca::xtp::accelerate::dpotri | ( | char | uplo, |
| long | n, | ||
| double * | a, | ||
| long | lda ) |
Inverse from the Cholesky factor of dpotrf (one triangle).
Definition at line 113 of file accelerate_lapack.cc.
| int votca::xtp::accelerate::dsyevd | ( | char | jobz, |
| char | uplo, | ||
| long | n, | ||
| double * | a, | ||
| long | lda, | ||
| double * | w ) |
Eigenvalues (ascending, into w) and, for jobz 'V', eigenvectors (into a) of a symmetric matrix, divide and conquer.
Definition at line 109 of file accelerate_lapack.cc.
| bool votca::xtp::accelerate::LapackAvailable | ( | ) |
Whether the routines below can run here (Accelerate build, macOS 13.3+).
Definition at line 108 of file accelerate_lapack.cc.
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constexpr |
Definition at line 42 of file accelerate_lapack.h.