.TH "sc::StreSimpleCo" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::StreSimpleCo \- The \fBStreSimpleCo\fP class describes an stretch internal coordinate of a molecule\&.  

.SH SYNOPSIS
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.PP
.PP
\fC#include <simple\&.h>\fP
.PP
Inherits \fBsc::SimpleCo\fP\&.
.SS "Public Member Functions"

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.RI "\fBStreSimpleCo\fP (const \fBStreSimpleCo\fP &)"
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.RI "\fBStreSimpleCo\fP (const char *, int, int)"
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.RI "This constructor takes a string containing a label, and two integers which are the indices of the atoms we're measuring the distance between\&. "
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.RI "\fBStreSimpleCo\fP (const \fBRef\fP< \fBKeyVal\fP > &)"
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.RI "The \fBKeyVal\fP constructor\&. "
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.RI "const char * \fBctype\fP () const"
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.RI "Always returns the string 'STRE'\&. "
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.RI "double \fBbohr\fP () const"
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.RI "Returns the distance between the two atoms in atomic units\&. "
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.RI "double \fBangstrom\fP () const"
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.RI "Returns the distance between the two atoms in angstrom units\&. "
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.RI "double \fBpreferred_value\fP () const"
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.RI "Returns the distance between the two atoms in angstrom units\&. "
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.SS "Additional Inherited Members"
.SH "Detailed Description"
.PP 
The \fBStreSimpleCo\fP class describes an stretch internal coordinate of a molecule\&. 

The input is described in the documentation of its parent class \fBSimpleCo\fP\&.
.PP
Designating the two atoms as $a$ and $b$ and their cartesian positions as $\bar{r}_a$ and $\bar{r}_b$, the value of the coordinate, $r$, is \[ r = \| \bar{r}_a - \bar{r}_b \| \] 
.SH "Constructor & Destructor Documentation"
.PP 
.SS "sc::StreSimpleCo::StreSimpleCo (const char *, int, int)"

.PP
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\&. 
.SS "sc::StreSimpleCo::StreSimpleCo (const \fBRef\fP< \fBKeyVal\fP > &)"

.PP
The \fBKeyVal\fP constructor\&. This calls the \fBSimpleCo\fP keyval constructor with an integer argument of 2\&. 

.SH "Author"
.PP 
Generated automatically by Doxygen for MPQC from the source code\&.