votca 2026-dev
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accelerate_lapack.h
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1/*
2 * Copyright 2009-2026 The VOTCA Development Team
3 * (http://www.votca.org)
4 *
5 * Licensed under the Apache License, Version 2.0 (the "License")
6 *
7 * You may not use this file except in compliance with the License.
8 * You may obtain a copy of the License at
9 *
10 * http://www.apache.org/licenses/LICENSE-2.0
11 *
12 * Unless required by applicable law or agreed to in writing, software
13 * distributed under the License is distributed on an "AS IS" BASIS,
14 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
15 * See the License for the specific language governing permissions and
16 * limitations under the License.
17 *
18 */
19
20#pragma once
21#ifndef VOTCA_XTP_ACCELERATE_LAPACK_H
22#define VOTCA_XTP_ACCELERATE_LAPACK_H
23
24namespace votca {
25namespace xtp {
26
40namespace accelerate {
41
42constexpr int kAccelerateUnavailable = -1000;
43
45bool LapackAvailable();
46
49int dsyevd(char jobz, char uplo, long n, double* a, long lda, double* w);
50
52int dpotrf(char uplo, long n, double* a, long lda);
53
55int dpotri(char uplo, long n, double* a, long lda);
56
57} // namespace accelerate
58} // namespace xtp
59} // namespace votca
60
61#endif // VOTCA_XTP_ACCELERATE_LAPACK_H
LAPACK routines of Apple Accelerate, called directly.
bool LapackAvailable()
Whether the routines below can run here (Accelerate build, macOS 13.3+).
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).
int dsyevd(char jobz, char uplo, long n, double *a, long lda, double *w)
constexpr int kAccelerateUnavailable
Provides a means for comparing floating point numbers.
Definition basebead.h:33