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