Psi4
Functions
opt::v3d Namespace Reference

Functions

bool v3d_angle (const double *A, const double *B, const double *C, double &phi, double tol)
 
bool v3d_tors (const double *A, const double *B, const double *C, const double *D, double &tau)
 
bool v3d_oofp (const double *A, const double *B, const double *C, const double *D, double &oop_angle)
 
void v3d_scm (const double a, double *A)
 
double v3d_norm (const double *A)
 
double v3d_dot (const double *A, const double *B)
 
double v3d_dist (const double *A, const double *B)
 
void v3d_axpy (const double a, const double *X, const double *Y, double *Z)
 
bool v3d_normalize (double *A, const double min_norm=1.0e-8, const double max_norm=1.0e8)
 
void v3d_cross_product (const double *u, const double *v, double *X)
 
bool v3d_is_parallel (const double *A, const double *B)
 
bool v3d_eAB (const double *A, const double *B, double *eAB, const double min_norm=1.0e-8, const double max_norm=1.0e15)
 

Function Documentation

bool opt::v3d::v3d_angle ( const double *  A,
const double *  B,
const double *  C,
double &  phi,
double  tol 
)
void opt::v3d::v3d_axpy ( const double  a,
const double *  X,
const double *  Y,
double *  Z 
)
inline
void opt::v3d::v3d_cross_product ( const double *  u,
const double *  v,
double *  X 
)
inline
double opt::v3d::v3d_dist ( const double *  A,
const double *  B 
)
inline
double opt::v3d::v3d_dot ( const double *  A,
const double *  B 
)
inline
bool opt::v3d::v3d_eAB ( const double *  A,
const double *  B,
double *  eAB,
const double  min_norm = 1.0e-8,
const double  max_norm = 1.0e15 
)
inline
bool opt::v3d::v3d_is_parallel ( const double *  A,
const double *  B 
)
inline
double opt::v3d::v3d_norm ( const double *  A)
inline
bool opt::v3d::v3d_normalize ( double *  A,
const double  min_norm = 1.0e-8,
const double  max_norm = 1.0e8 
)
inline
bool opt::v3d::v3d_oofp ( const double *  A,
const double *  B,
const double *  C,
const double *  D,
double &  oop_angle 
)
void opt::v3d::v3d_scm ( const double  a,
double *  A 
)
inline
bool opt::v3d::v3d_tors ( const double *  A,
const double *  B,
const double *  C,
const double *  D,
double &  tau 
)