v2DM-DOCI  1.0
Lapack.h
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1 /*
2  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
3  Copyright (C) 2013, 2014 Sebastian Wouters
4 
5  This program is free software; you can redistribute it and/or modify
6  it under the terms of the GNU General Public License as published by
7  the Free Software Foundation; either version 2 of the License, or
8  (at your option) any later version.
9 
10  This program is distributed in the hope that it will be useful,
11  but WITHOUT ANY WARRANTY; without even the implied warranty of
12  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13  GNU General Public License for more details.
14 
15  You should have received a copy of the GNU General Public License along
16  with this program; if not, write to the Free Software Foundation, Inc.,
17  51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
18 */
19 
20 #ifndef LAPACK_CHEMPS2_H
21 #define LAPACK_CHEMPS2_H
22 
23 extern "C" {
24 
25  void dgeqrf_(int *m,int *n,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
26  void dorgqr_(int *m,int *n, int *k,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
27  void dgelqf_(int *m,int *n,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
28  void dorglq_(int *m,int *n, int *k,double *A,int *LDA,double *tau,double *WORK,int *LWORK,int *INFO);
29  void dcopy_(int *n,double *x,int *incx,double *y,int *incy);
30  void daxpy_(int *n,double *alpha,double *x,int *incx,double *y,int *incy);
31  void dscal_(int *n,double *alpha,double *x,int *incx);
32  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);
33  double ddot_(int *n,double *x,int *incx,double *y,int *incy);
34  void dsyev_(char *jobz,char *uplo,int *n,double *A,int *lda,double *W,double *work,int *lwork,int *info);
35  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);
36  void dlasrt_(char* id, int* n, double* vec, int* info);
37  double dlansy_(char * norm, char * uplo, int * dimR, double * mx, int * lda, double * work);
38  double dlange_(char * norm, int * m, int * n, double * mx, int * lda, double * work);
39 
40 }
41 #endif
double ddot_(int *n, double *x, int *incx, double *y, int *incy)
double dlange_(char *norm, int *m, int *n, double *mx, int *lda, double *work)
void dcopy_(int *n, double *x, int *incx, double *y, int *incy)
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 dsyev_(char *jobz, char *uplo, int *n, double *A, int *lda, double *W, 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 daxpy_(int *n, double *alpha, double *x, int *incx, double *y, int *incy)
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 dgeqrf_(int *m, int *n, double *A, int *LDA, double *tau, double *WORK, int *LWORK, int *INFO)
double dlansy_(char *norm, char *uplo, int *dimR, double *mx, int *lda, double *work)
void dlasrt_(char *id, int *n, double *vec, int *info)
void dorglq_(int *m, int *n, int *k, double *A, int *LDA, double *tau, double *WORK, int *LWORK, int *INFO)
void dscal_(int *n, double *alpha, double *x, int *incx)