cantera/include/cantera/numerics/ctlapack.h

535 lines
19 KiB
C++

/**
* @file ctlapack.h
*/
// This file is part of Cantera. See License.txt in the top-level directory or
// at https://cantera.org/license.txt for license and copyright information.
#ifndef CT_CTLAPACK_H
#define CT_CTLAPACK_H
#include "cantera/base/ct_defs.h"
// map BLAS names to names with or without a trailing underscore.
#ifndef LAPACK_FTN_TRAILING_UNDERSCORE
#define _DGEMV_ dgemv
#define _DGETRF_ dgetrf
#define _DGETRS_ dgetrs
#define _DGETRI_ dgetri
#define _DGELSS_ dgelss
#define _DGBCON_ dgbcon
#define _DGBSV_ dgbsv
#define _DGBTRF_ dgbtrf
#define _DGBTRS_ dgbtrs
#define _DGECON_ dgecon
#define _DLANGE_ dlange
#define _DSCAL_ dscal
#define _DGEQRF_ dgeqrf
#define _DORMQR_ dormqr
#define _DTRTRS_ dtrtrs
#define _DTRCON_ dtrcon
#define _DPOTRF_ dpotrf
#define _DPOTRS_ dpotrs
#else
#define _DGEMV_ dgemv_
#define _DGETRF_ dgetrf_
#define _DGETRS_ dgetrs_
#define _DGETRI_ dgetri_
#define _DGELSS_ dgelss_
#define _DGBCON_ dgbcon_
#define _DGBSV_ dgbsv_
#define _DGBTRF_ dgbtrf_
#define _DGBTRS_ dgbtrs_
#define _DGECON_ dgecon_
#define _DLANGE_ dlange_
#define _DSCAL_ dscal_
#define _DGEQRF_ dgeqrf_
#define _DORMQR_ dormqr_
#define _DTRTRS_ dtrtrs_
#define _DTRCON_ dtrcon_
#define _DPOTRF_ dpotrf_
#define _DPOTRS_ dpotrs_
#endif
namespace ctlapack
{
typedef enum {Transpose = 1, NoTranspose = 0} transpose_t;
typedef enum {ColMajor = 1, RowMajor = 0} storage_t;
typedef enum {UpperTriangular = 0, LowerTriangular = 1} upperlower_t;
typedef enum {Left = 0, Right = 1} side_t;
}
const char no_yes[2] = {'N', 'T'};
const char upper_lower[2] = {'U', 'L'};
const char left_right[2] = {'L', 'R'};
// C interfaces for Fortran Lapack routines
extern "C" {
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DGEMV_(const char* transpose,
const integer* m, const integer* n, const doublereal* alpha,
const doublereal* a, const integer* lda, const doublereal* x,
const integer* incX, const doublereal* beta, doublereal* y,
const integer* incY, ftnlen trsize);
#else
int _DGEMV_(const char* transpose, ftnlen trsize,
const integer* m, const integer* n, const doublereal* alpha,
const doublereal* a, const integer* lda, const doublereal* x,
const integer* incX, const doublereal* beta, doublereal* y,
const integer* incY);
#endif
int _DGETRF_(const integer* m, const integer* n,
doublereal* a, integer* lda, integer* ipiv,
integer* info);
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DGETRS_(const char* transpose, const integer* n,
const integer* nrhs, doublereal* a, const integer* lda,
integer* ipiv, doublereal* b, const integer* ldb,
integer* info, ftnlen trsize);
#else
int _DGETRS_(const char* transpose, ftnlen trsize, const integer* n,
const integer* nrhs, const doublereal* a, const integer* lda,
integer* ipiv, doublereal* b, const integer* ldb, integer* info);
#endif
int _DGETRI_(const integer* n, doublereal* a, const integer* lda,
integer* ipiv, doublereal* work, integer* lwork, integer* info);
int _DGELSS_(const integer* m, const integer* n, const integer* nrhs,
doublereal* a, const integer* lda, doublereal* b,
const integer* ldb, doublereal* s, const doublereal* rcond,
integer* rank, doublereal* work, integer* lwork, integer* info);
int _DGBSV_(integer* n, integer* kl, integer* ku, integer* nrhs,
doublereal* a, integer* lda, integer* ipiv, doublereal* b,
integer* ldb, integer* info);
int _DGBTRF_(integer* m, integer* n, integer* kl, integer* ku,
doublereal* a, integer* lda, integer* ipiv, integer* info);
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DGBTRS_(const char* trans, integer* n, integer* kl, integer* ku,
integer* nrhs, doublereal* a, integer* lda, integer* ipiv,
doublereal* b, integer* ldb, integer* info, ftnlen trsize);
#else
int _DGBTRS_(const char* trans, ftnlen trsize,
integer* n, integer* kl, integer* ku,
integer* nrhs, doublereal* a, integer* lda, integer* ipiv,
doublereal* b, integer* ldb, integer* info);
#endif
int _DSCAL_(integer* n, doublereal* da, doublereal* dx, integer* incx);
int _DGEQRF_(const integer* m, const integer* n, doublereal* a, const integer* lda,
doublereal* tau, doublereal* work, const integer* lwork, integer* info);
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DORMQR_(const char* side, const char* trans, const integer* m, const integer* n,
const integer* k, doublereal* a, const integer* lda,
doublereal* tau, doublereal* c, const integer* ldc,
doublereal* work, const integer* lwork, integer* info, ftnlen sisize, ftnlen trsize);
#else
int _DORMQR_(const char* side, ftnlen sisize, const char* trans, ftnlen trsize, const integer* m,
const integer* n, const integer* k, doublereal* a, const integer* lda,
doublereal* tau,doublereal* c, const integer* ldc,
doublereal* work, const integer* lwork, integer* info);
#endif
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DTRTRS_(const char* uplo, const char* trans, const char* diag, const integer* n,
const integer* nrhs, doublereal* a, const integer* lda,
doublereal* b, const integer* ldb, integer* info,
ftnlen upsize, ftnlen trsize, ftnlen disize);
#else
int _DTRTRS_(const char* uplo, ftnlen upsize, const char* trans, ftnlen trsize, const char* diag,
ftnlen disize, const integer* n, const integer* nrhs, doublereal* a, const integer* lda,
doublereal* b, const integer* ldb, integer* info);
#endif
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DTRCON_(const char* norm, const char* uplo, const char* diag, const integer* n,
doublereal* a, const integer* lda, const doublereal* rcond,
doublereal* work, const integer* iwork, integer* info, ftnlen nosize,
ftnlen upsize, ftnlen disize);
#else
int _DTRCON_(const char* norm, ftnlen nosize, const char* uplo, ftnlen upsize, const char* diag,
ftnlen disize, const integer* n, doublereal* a, const integer* lda, const doublereal* rcond,
doublereal* work, const integer* iwork, integer* info);
#endif
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DPOTRF_(const char* uplo, const integer* n, doublereal* a, const integer* lda, integer* info,
ftnlen upsize);
#else
int _DPOTRF_(const char* uplo, ftnlen upsize, const integer* n, doublereal* a, const integer* lda,
integer* info);
#endif
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DPOTRS_(const char* uplo, const integer* n, const integer* nrhs, doublereal* a, const integer* lda,
doublereal* b, const integer* ldb, integer* info, ftnlen upsize);
#else
int _DPOTRS_(const char* uplo, ftnlen upsize, const integer* n, const integer* nrhs, doublereal* a, const integer* lda,
doublereal* b, const integer* ldb, integer* info);
#endif
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DGECON_(const char* norm, const integer* n, doublereal* a, const integer* lda,
const doublereal* rnorm, const doublereal* rcond,
doublereal* work, const integer* iwork, integer* info, ftnlen nosize);
#else
int _DGECON_(const char* norm, ftnlen nosize, const integer* n, doublereal* a, const integer* lda,
const doublereal* rnorm, const doublereal* rcond,
doublereal* work, const integer* iwork, integer* info);
#endif
#ifdef LAPACK_FTN_STRING_LEN_AT_END
int _DGBCON_(const char* norm, const integer* n, integer* kl, integer* ku, doublereal* ab, const integer* ldab,
const integer* ipiv, const doublereal* anorm, const doublereal* rcond,
doublereal* work, const integer* iwork, integer* info, ftnlen nosize);
#else
int _DGBCON_(const char* norm, ftnlen nosize, const integer* n, integer* kl, integer* ku, doublereal* ab, const integer* ldab,
const integer* ipiv, const doublereal* anorm, const doublereal* rcond,
doublereal* work, const integer* iwork, integer* info);
#endif
#ifdef LAPACK_FTN_STRING_LEN_AT_END
doublereal _DLANGE_(const char* norm, const integer* m, const integer* n, doublereal* a, const integer* lda,
doublereal* work, ftnlen nosize);
#else
doublereal _DLANGE_(const char* norm, ftnlen nosize, const integer* m, const integer* n, doublereal* a, const integer* lda,
doublereal* work);
#endif
}
namespace Cantera
{
inline void ct_dgemv(ctlapack::storage_t storage,
ctlapack::transpose_t trans,
int m, int n, doublereal alpha, const doublereal* a, int lda,
const doublereal* x, int incX, doublereal beta,
doublereal* y, int incY)
{
integer f_m = m, f_n = n, f_lda = lda, f_incX = incX, f_incY = incY;
doublereal f_alpha = alpha, f_beta = beta;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DGEMV_(&no_yes[trans], &f_m, &f_n, &f_alpha, a,
&f_lda, x, &f_incX, &f_beta, y, &f_incY, trsize);
#else
_DGEMV_(&no_yes[trans], trsize, &f_m, &f_n, &f_alpha, a,
&f_lda, x, &f_incX, &f_beta, y, &f_incY);
#endif
}
inline void ct_dgbsv(int n, int kl, int ku, int nrhs,
doublereal* a, int lda, integer* ipiv, doublereal* b, int ldb,
int& info)
{
integer f_n = n, f_kl = kl, f_ku = ku, f_nrhs = nrhs, f_lda = lda,
f_ldb = ldb, f_info = 0;
_DGBSV_(&f_n, &f_kl, &f_ku, &f_nrhs, a, &f_lda, ipiv,
b, &f_ldb, &f_info);
info = f_info;
}
inline void ct_dgelss(size_t m, size_t n, size_t nrhs, doublereal* a,
size_t lda, doublereal* b, size_t ldb, doublereal* s,
doublereal rcond, size_t& rank, doublereal* work,
int& lwork, int& info)
{
integer f_m = static_cast<integer>(m);
integer f_n = static_cast<integer>(n);
integer f_nrhs = static_cast<integer>(nrhs);
integer f_lda = static_cast<integer>(lda);
integer f_ldb = static_cast<integer>(ldb);
integer f_lwork = static_cast<integer>(lwork);
integer f_rank, f_info;
_DGELSS_(&f_m, &f_n, &f_nrhs, a, &f_lda, b, &f_ldb, s, &rcond, &f_rank,
work, &f_lwork, &f_info);
info = static_cast<int>(f_info);
rank = static_cast<size_t>(f_rank);
lwork = static_cast<int>(f_lwork);
}
inline void ct_dgbtrf(size_t m, size_t n, size_t kl, size_t ku,
doublereal* a, size_t lda, integer* ipiv, int& info)
{
integer f_m = (int) m;
integer f_n = (int) n;
integer f_kl = (int) kl;
integer f_ku = (int) ku;
integer f_lda = (int) lda;
integer f_info = 0;
_DGBTRF_(&f_m, &f_n, &f_kl, &f_ku, a, &f_lda, ipiv, &f_info);
info = f_info;
}
inline void ct_dgbtrs(ctlapack::transpose_t trans, size_t n,
size_t kl, size_t ku, size_t nrhs, doublereal* a, size_t lda,
integer* ipiv, doublereal* b, size_t ldb, int& info)
{
integer f_n = (int) n;
integer f_kl = (int) kl;
integer f_ku = (int) ku;
integer f_nrhs = (int) nrhs;
integer f_lda = (int) lda;
integer f_ldb = (int) ldb;
integer f_info = 0;
char tr = no_yes[trans];
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DGBTRS_(&tr, &f_n, &f_kl, &f_ku, &f_nrhs, a, &f_lda, ipiv,
b, &f_ldb, &f_info, trsize);
#else
_DGBTRS_(&tr, trsize, &f_n, &f_kl, &f_ku, &f_nrhs, a, &f_lda, ipiv,
b, &f_ldb, &f_info);
#endif
info = f_info;
}
inline void ct_dgetrf(size_t m, size_t n,
doublereal* a, size_t lda, integer* ipiv, int& info)
{
integer mm = (int) m;
integer nn = (int) n;
integer ldaa = (int) lda;
integer infoo = 0;
_DGETRF_(&mm, &nn, a, &ldaa, ipiv, &infoo);
info = infoo;
}
inline void ct_dgetrs(ctlapack::transpose_t trans, size_t n,
size_t nrhs, doublereal* a, size_t lda,
integer* ipiv, doublereal* b, size_t ldb, int& info)
{
integer f_n = (int) n;
integer f_lda = (int) lda;
integer f_nrhs = (int) nrhs;
integer f_ldb = (int) ldb;
integer f_info = 0;
char tr = no_yes[trans];
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DGETRS_(&tr, &f_n, &f_nrhs, a, &f_lda, ipiv, b, &f_ldb, &f_info, trsize);
#else
_DGETRS_(&tr, trsize, &f_n, &f_nrhs, a, &f_lda, ipiv, b, &f_ldb, &f_info);
#endif
info = f_info;
}
inline void ct_dgetri(int n, doublereal* a, int lda, integer* ipiv,
doublereal* work, int lwork, int& info)
{
integer f_n = n, f_lda = lda, f_lwork = lwork, f_info = 0;
_DGETRI_(&f_n, a, &f_lda, ipiv, work, &f_lwork, &f_info);
}
inline void ct_dscal(int n, doublereal da, doublereal* dx, int incx)
{
integer f_n = n, f_incx = incx;
_DSCAL_(&f_n, &da, dx, &f_incx);
}
inline void ct_dgeqrf(size_t m, size_t n, doublereal* a, size_t lda, doublereal* tau,
doublereal* work, size_t lwork, int& info)
{
integer f_m = static_cast<integer>(m);
integer f_n = static_cast<integer>(n);
integer f_lda = static_cast<integer>(lda);
integer f_lwork = static_cast<integer>(lwork);
integer f_info = 0;
_DGEQRF_(&f_m, &f_n, a, &f_lda, tau, work, &f_lwork, &f_info);
info = f_info;
}
inline void ct_dormqr(ctlapack::side_t rlside, ctlapack::transpose_t trans, size_t m,
size_t n, size_t k, doublereal* a, size_t lda, doublereal* tau, doublereal* c, size_t ldc,
doublereal* work, size_t lwork, int& info)
{
char side = left_right[rlside];
char tr = no_yes[trans];
integer f_m = static_cast<integer>(m);
integer f_n = static_cast<integer>(n);
integer f_k = static_cast<integer>(k);
integer f_lwork = static_cast<integer>(lwork);
integer f_lda = static_cast<integer>(lda);
integer f_ldc = static_cast<integer>(ldc);
integer f_info = 0;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DORMQR_(&side, &tr, &f_m, &f_n, &f_k, a, &f_lda, tau, c, &f_ldc, work, &f_lwork, &f_info, trsize, trsize);
#else
_DORMQR_(&side, trsize, &tr, trsize, &f_m, &f_n, &f_k, a, &f_lda, tau, c, &f_ldc, work, &f_lwork, &f_info);
#endif
info = f_info;
}
inline void ct_dtrtrs(ctlapack::upperlower_t uplot, ctlapack::transpose_t trans, const char* diag,
size_t n, size_t nrhs, doublereal* a, size_t lda, doublereal* b, size_t ldb, int& info)
{
char uplo = upper_lower[uplot];
char tr = no_yes[trans];
char dd = 'N';
if (diag) {
dd = diag[0];
}
integer f_n = static_cast<integer>(n);
integer f_nrhs = static_cast<integer>(nrhs);
integer f_lda = static_cast<integer>(lda);
integer f_ldb = static_cast<integer>(ldb);
integer f_info = 0;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DTRTRS_(&uplo, &tr, &dd, &f_n, &f_nrhs, a, &f_lda, b, &f_ldb, &f_info, trsize, trsize, trsize);
#else
_DTRTRS_(&uplo, trsize, &tr, trsize, &dd, trsize, &f_n, &f_nrhs, a, &f_lda, b, &f_ldb, &f_info);
#endif
info = f_info;
}
/*!
* @param work Must be dimensioned equal to greater than 3N
* @param iwork Must be dimensioned equal to or greater than N
*/
inline doublereal ct_dtrcon(const char* norm, ctlapack::upperlower_t uplot, const char* diag,
size_t n, doublereal* a, size_t lda, doublereal* work, int* iwork, int& info)
{
char uplo = upper_lower[uplot];
char dd = 'N';
if (diag) {
dd = diag[0];
}
char nn = '1';
if (norm) {
nn = norm[0];
}
integer f_n = static_cast<integer>(n);
integer f_lda = static_cast<integer>(lda);
integer f_info = 0;
doublereal rcond = 0.0;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DTRCON_(&nn, &uplo, &dd, &f_n, a, &f_lda, &rcond, work, iwork, &f_info, trsize, trsize, trsize);
#else
_DTRCON_(&nn, trsize, &uplo, trsize, &dd, trsize, &f_n, a, &f_lda, &rcond, work, iwork, &f_info);
#endif
info = f_info;
return rcond;
}
inline void ct_dpotrf(ctlapack::upperlower_t uplot, size_t n, doublereal* a, size_t lda, int& info)
{
char uplo = upper_lower[uplot];
integer f_n = static_cast<integer>(n);
integer f_lda = static_cast<integer>(lda);
integer f_info = 0;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DPOTRF_(&uplo, &f_n, a, &f_lda, &f_info, trsize);
#else
_DPOTRF_(&uplo, trsize, &f_n, a, &f_lda, &f_info);
#endif
info = f_info;
return;
}
inline void ct_dpotrs(ctlapack::upperlower_t uplot, size_t n, size_t nrhs, doublereal* a, size_t lda,
doublereal* b, size_t ldb, int& info)
{
char uplo = upper_lower[uplot];
integer f_n = static_cast<integer>(n);
integer f_nrhs = static_cast<integer>(nrhs);
integer f_lda = static_cast<integer>(lda);
integer f_ldb = static_cast<integer>(ldb);
integer f_info = 0;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DPOTRS_(&uplo, &f_n, &f_nrhs, a, &f_lda, b, &f_ldb, &f_info, trsize);
#else
_DPOTRS_(&uplo, trsize, &f_n, &f_nrhs, a, &f_lda, b, &f_ldb, &f_info);
#endif
info = f_info;
return;
}
inline doublereal ct_dgecon(const char norm, size_t n, doublereal* a, size_t lda, doublereal anorm,
doublereal* work, int* iwork, int& info)
{
char cnorm = '1';
if (norm) {
cnorm = norm;
}
integer f_n = static_cast<integer>(n);
integer f_lda = static_cast<integer>(lda);
integer f_info = 0;
doublereal rcond = 0.0;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DGECON_(&cnorm, &f_n, a, &f_lda, &anorm, &rcond, work, iwork, &f_info, trsize);
#else
_DGECON_(&cnorm, trsize, &f_n, a, &f_lda, &anorm, &rcond, work, iwork, &f_info);
#endif
info = f_info;
return rcond;
}
inline doublereal ct_dgbcon(const char norm, size_t n, size_t kl, size_t ku,
doublereal* a, size_t ldab, int* ipiv, doublereal anorm,
doublereal* work, int* iwork, int& info)
{
char cnorm = '1';
if (norm) {
cnorm = norm;
}
integer f_n = static_cast<integer>(n);
integer f_kl = static_cast<integer>(kl);
integer f_ku = static_cast<integer>(ku);
integer f_ldab = static_cast<integer>(ldab);
integer f_info = 0;
doublereal rcond = 0.0;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
_DGBCON_(&cnorm, &f_n, &f_kl, &f_ku, a, &f_ldab, ipiv, &anorm, &rcond, work, iwork, &f_info, trsize);
#else
_DGBCON_(&cnorm, trsize, &f_n, &f_kl, &f_ku, a, &f_ldab, ipiv, &anorm, &rcond, work, iwork, &f_info);
#endif
info = f_info;
return rcond;
}
inline doublereal ct_dlange(const char norm, size_t m, size_t n, doublereal* a, size_t lda,
doublereal* work)
{
char cnorm = '1';
if (norm) {
cnorm = norm;
}
integer f_m = static_cast<integer>(m);
integer f_n = static_cast<integer>(n);
integer f_lda = static_cast<integer>(lda);
doublereal anorm;
ftnlen trsize = 1;
#ifdef LAPACK_FTN_STRING_LEN_AT_END
anorm = _DLANGE_(&cnorm, &f_m, &f_n, a, &f_lda, work, trsize);
#else
anorm = _DLANGE_(&cnorm, trsize, &f_m, &f_n, a, &f_lda, work);
#endif
return anorm;
}
}
#endif