Psi4
Namespaces | Macros | Functions

xyz coordinates for three points and R, theta, and phi, returns the coordinates a fourth point; angles should enter function in degrees More...

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "psi4/libqt/qt.h"
#include "psi4/psifiles.h"
#include "psi4/psi4-dec.h"
#include "psi4/physconst.h"

Namespaces

 psi
 Rotate a set of vectors around an arbitrary axis Vectors are rows of input matrix.
 

Macros

#define ZMAT_LINEAR_CUTOFF   (1.0e-14)
 

Functions

void psi::zmat_point (double *A, double *B, double *C, double R_CD, double theta_BCD, double phi_ABCD, double *D)
 

Detailed Description

xyz coordinates for three points and R, theta, and phi, returns the coordinates a fourth point; angles should enter function in degrees

Macro Definition Documentation

#define ZMAT_LINEAR_CUTOFF   (1.0e-14)