/usr/include/chemps2/Lapack.h is in libchemps2-dev 1.8.5-1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 | /*
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2018 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*/
#ifndef LAPACK_CHEMPS2_H
#define LAPACK_CHEMPS2_H
extern "C" {
void dgeqrf_(int *m,int *n,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
void dorgqr_(int *m,int *n, int *k,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
void dgelqf_(int *m,int *n,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
void dorglq_(int *m,int *n, int *k,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
void dcopy_(int *n,double *x,int *incx,double *y,int *incy);
void daxpy_(int *n,double *alpha,double *x,int *incx,double *y,int *incy);
void dscal_(int *n,double *alpha,double *x,int *incx);
void dgemm_(char *transA,char *transB,int *m,int *n,int *k,double *alpha,double *A,int *lda,double *B,int *ldb,double *beta,double *C,int *ldc);
void dgemv_(char *trans, int *m, int *n, double *alpha, double *A, int *lda, double *X, int *incx, double *beta, double *Y, int *incy);
double ddot_(int *n,double *x,int *incx,double *y,int *incy);
void dsyev_(char *jobz,char *uplo,int *n,double *A,int *lda,double *W,double *work,int *lwork,int *info);
void dgesdd_(char* JOBZ, int* M, int* N, double* A, int* LDA, double* S, double* U, int* LDU, double* VT, int* LDVT, double* WORK, int* LWORK, int* IWORK, int* INFO);
void dlasrt_(char* id, int* n, double* vec, int* info);
double dlansy_(char * norm, char * uplo, int * dimR, double * mx, int * lda, double * work);
double dlange_(char * norm, int * m, int * n, double * mx, int * lda, double * work);
}
#endif
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