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sc::StreSimpleCo(3)                  MPQC                  sc::StreSimpleCo(3)


NAME

       sc::StreSimpleCo - The StreSimpleCo class describes an stretch internal
       coordinate of a molecule.


SYNOPSIS

       #include <simple.h>

       Inherits sc::SimpleCo.

   Public Member Functions
       StreSimpleCo (const StreSimpleCo &)
       StreSimpleCo (const char *, int, int)
           This constructor takes a string containing a label, and two
           integers which are the indices of the atoms we're measuring the
           distance between.
       StreSimpleCo (const Ref< KeyVal > &)
           The KeyVal constructor.
       const char * ctype () const
           Always returns the string 'STRE'.
       double bohr () const
           Returns the distance between the two atoms in atomic units.
       double angstrom () const
           Returns the distance between the two atoms in angstrom units.
       double preferred_value () const
           Returns the distance between the two atoms in angstrom units.

   Additional Inherited Members

Detailed Description
       The StreSimpleCo class describes an stretch internal coordinate of a
       molecule.

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

       Designating the two atoms as $a$ and $b$ and their cartesian positions
       as $$ and $lue of the coordinate, $r$, is r =   -

Constructor & Destructor Documentation
   sc::StreSimpleCo::StreSimpleCo (const char *, int, int)
       This constructor takes a string containing a label, and two integers
       which are the indices of the atoms we're measuring the distance
       between. Atom numbering begins at atom 1, not atom 0.

   sc::StreSimpleCo::StreSimpleCo (const Ref< KeyVal > &)
       The KeyVal constructor. This calls the SimpleCo keyval constructor with
       an integer argument of 2.

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

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

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