Psi4
mcscf/algebra_interface.h
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28 
29 #ifndef _psi_src_bin_mcscf_algebra_interface_h_
30 #define _psi_src_bin_mcscf_algebra_interface_h_
31 
33 
34 namespace psi{ namespace mcscf{
35 
36 extern "C" void F_DAXPY(int *length, double *a, double *x, int *inc_x,
37  double *y, int *inc_y);
38 extern "C" void F_DCOPY(int *length, double *x, int *inc_x,
39  double *y, int *inc_y);
40 extern "C" void F_DGEMM(const char *transa, const char *transb, int *m, int *n, int *k,
41  double *alpha, double *A, int *lda, double *B, int *ldb,
42  double *beta, double *C, int *ldc);
43 extern "C" void F_DROT(int *ntot,double *x, int *incx,double *y, int *incy,
44  double *cotheta,double *sintheta);
45 extern "C" void F_DSCAL(int *n, double *alpha, double *vec, int *inc);
46 extern "C" void F_DGEMV(char *transa, int *m, int *n, double *alpha, double *A,
47  int *lda, double *X, int *inc_x, double *beta,
48  double *Y, int *inc_y);
49 extern "C" double F_DDOT(int *n, double *x, int *incx, double *y, int *incy);
50 
51 void C_DGEMM_12(int m, int n, int k, double alpha,double *A, int nra,
52  double *B, int ncb, double beta, double *C, int ncc);
53 void C_DGEMM_22(int m, int n, int k, double alpha,double *A, int nca,
54  double *B, int ncb, double beta, double *C, int ncc);
55 
56 // void C_DGEMM_11(int m, int n, int k, double alpha,double *A, int nca,
57 // double *B, int ncb, double beta, double *C, int ncc);
58 // void C_DGEMM_21(int m, int n, int k, double alpha,double *A, int nca,
59 // double *B, int ncb, double beta, double *C, int ncc);
60 
61 
62 extern "C" void F_DGEEV(const char *jobvl, const char *jobvr, int *n, double *a, int *lda,
63  double *wr, double *wi, double *vl, int *ldvl, double *vr,
64  int *ldvr, double *work, int *lwork, int *info);
65 extern "C" void F_DGESV(int *n, int *nrhs, double *A, int *lda, int *ipiv,
66  double *B, int *ldb, int *info);
67 
68 extern "C" void F_DSYEV(char *JOBZ, char *UPLO, int *N, double *A, int *LDA, double *W, double *WORK, int *LWORK, int *INFO );
69 
70 }}
71 
72 #endif // _psi_src_bin_mcscf_algebra_interface_h_
void C_DGEMM_22(int m, int n, int k, double alpha, double *A, int nca, double *B, int ncb, double beta, double *C, int ncc)
Definition: mcscf/algebra_interface.cc:67
void C_DGEMM_12(int m, int n, int k, double alpha, double *A, int nra, double *B, int ncb, double beta, double *C, int ncc)
Definition: mcscf/algebra_interface.cc:45
void F_DGEMV(char *transa, int *m, int *n, double *alpha, double *A, int *lda, double *X, int *inc_x, double *beta, double *Y, int *inc_y)
void F_DROT(int *ntot, double *x, int *incx, double *y, int *incy, double *cotheta, double *sintheta)
SharedWavefunction mcscf(SharedWavefunction, Options &)
Definition: mcscf.cc:73
void F_DSYEV(char *JOBZ, char *UPLO, int *N, double *A, int *LDA, double *W, double *WORK, int *LWORK, int *INFO)
void F_DGEEV(const char *jobvl, const char *jobvr, int *n, double *a, int *lda, double *wr, double *wi, double *vl, int *ldvl, double *vr, int *ldvr, double *work, int *lwork, int *info)
void F_DAXPY(int *length, double *a, double *x, int *inc_x, double *y, int *inc_y)
void F_DCOPY(int *length, double *x, int *inc_x, double *y, int *inc_y)
void F_DGEMM(const char *transa, const char *transb, int *m, int *n, int *k, double *alpha, double *A, int *lda, double *B, int *ldb, double *beta, double *C, int *ldc)
double F_DDOT(int *n, double *x, int *incx, double *y, int *incy)
void F_DSCAL(int *n, double *alpha, double *vec, int *inc)
Definition: PsiFileImpl.h:39
void F_DGESV(int *n, int *nrhs, double *A, int *lda, int *ipiv, double *B, int *ldb, int *info)