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sc::TorsSimpleCo(3)                  MPQC                  sc::TorsSimpleCo(3)


NAME

       sc::TorsSimpleCo - The TorsSimpleCo class describes an torsion internal
       coordinate of a molecule.


SYNOPSIS

       #include <simple.h>

       Inherits sc::SimpleCo.

   Public Member Functions
       TorsSimpleCo (const TorsSimpleCo &)
       TorsSimpleCo (const char *refr, int, int, int, int)
           This constructor takes a string containing a label, and four
           integers a, b, c, and d which give the indices of the atoms
           involved in the torsion angle abcd.
       TorsSimpleCo (const Ref< KeyVal > &)
           The KeyVal constructor.
       const char * ctype () const
           Always returns the string 'TORS'.
       double radians () const
           Returns the value of the angle abc in radians.
       double degrees () const
           Returns the value of the angle abc in degrees.
       double preferred_value () const
           Returns the value of the angle abc in degrees.

   Additional Inherited Members

Detailed Description
       The TorsSimpleCo class describes an torsion internal coordinate of a
       molecule.

       The input is described in the documentation of its parent class
       SimpleCo.

       Designating the four atoms as $a$, $b$, $c$, and $d$ and their
       cartesian positions as $$, $te, $au$, is given by

       b} = ac{ - ac{ac{bc}= ac{b} imes ac{s = au = s rccos ( - bc} dot

Constructor & Destructor Documentation
   sc::TorsSimpleCo::TorsSimpleCo (const char * refr, int, int, int, int)
       This constructor takes a string containing a label, and four integers
       a, b, c, and d which give the indices of the atoms involved in the
       torsion angle abcd. Atom numbering begins at atom 1, not atom 0.

   sc::TorsSimpleCo::TorsSimpleCo (const Ref< KeyVal > &)
       The KeyVal constructor. This calls the SimpleCo keyval constructor with
       an integer argument of 4.

Author
       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                   Fri Feb 19 2016            sc::TorsSimpleCo(3)

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