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# colvar::distance_dir Class Reference

\brief Colvar component: distance unit vector (direction) between centers of mass of two groups (colvarvalue::type_unit3vector type, range [-1:1]x[-1:1]x[-1:1]). More...

`#include <colvarcomp.h>`

Inheritance diagram for colvar::distance_dir:

List of all members.

## Public Methods

distance_dir (std::string const &conf)
distance_dir ()
virtual ~distance_dir ()
virtual void calc_value ()
\brief Calculate the variable. More...

\brief Calculate the atomic gradients, to be reused later in order to apply forces. More...

virtual void apply_force (colvarvalue const &force)
\brief Apply the collective variable force, by communicating the atomic forces to the simulation program (Note: the ft member is not altered by this function) Note: multiple calls to this function within the same simulation step will add the forces altogether
Parameters:
 cvforce The collective variable force, usually coming from the biases and eventually manipulated by the parent colvar object.
More...

virtual cvm::real dist2 (colvarvalue const &x1, colvarvalue const &x2) const
Redefined to override the distance ones. More...

virtual colvarvalue dist2_lgrad (colvarvalue const &x1, colvarvalue const &x2) const
Redefined to override the distance ones. More...

virtual colvarvalue dist2_rgrad (colvarvalue const &x1, colvarvalue const &x2) const
Redefined to override the distance ones. More...

## Detailed Description

\brief Colvar component: distance unit vector (direction) between centers of mass of two groups (colvarvalue::type_unit3vector type, range [-1:1]x[-1:1]x[-1:1]).

Definition at line 408 of file colvarcomp.h.

## Constructor & Destructor Documentation

 colvar::distance_dir::distance_dir ( std::string const & conf )

 colvar::distance_dir::distance_dir ( )
 Definition at line 492 of file colvarcomp_distances.C.

 virtual colvar::distance_dir::~distance_dir ( ) ` [inline, virtual]`
 Definition at line 414 of file colvarcomp.h.

## Member Function Documentation

 void colvar::distance_dir::apply_force ( colvarvalue const & force ) ` [virtual]`

\brief Apply the collective variable force, by communicating the atomic forces to the simulation program (Note: the ft member is not altered by this function) Note: multiple calls to this function within the same simulation step will add the forces altogether

Parameters:
 cvforce The collective variable force, usually coming from the biases and eventually manipulated by the parent colvar object.

Reimplemented from colvar::distance.

Definition at line 524 of file colvarcomp_distances.C.

 void colvar::distance_dir::calc_gradients ( ) ` [virtual]`
 \brief Calculate the atomic gradients, to be reused later in order to apply forces. Reimplemented from colvar::distance. Definition at line 514 of file colvarcomp_distances.C.

 void colvar::distance_dir::calc_value ( ) ` [virtual]`
 \brief Calculate the variable. Reimplemented from colvar::distance. Definition at line 502 of file colvarcomp_distances.C.

 cvm::real colvar::distance_dir::dist2 ( colvarvalue const & x1, colvarvalue const & x2 ) const` [virtual]`
 Redefined to override the distance ones. Reimplemented from colvar::distance. Definition at line 538 of file colvarcomp_distances.C. References colvarvalue::rvector_value.

 colvarvalue colvar::distance_dir::dist2_lgrad ( colvarvalue const & x1, colvarvalue const & x2 ) const` [virtual]`
 Redefined to override the distance ones. Reimplemented from colvar::distance. Definition at line 545 of file colvarcomp_distances.C. References colvarvalue::rvector_value, and colvarvalue::type_unit3vectorderiv.

 colvarvalue colvar::distance_dir::dist2_rgrad ( colvarvalue const & x1, colvarvalue const & x2 ) const` [virtual]`
 Redefined to override the distance ones. Reimplemented from colvar::distance. Definition at line 552 of file colvarcomp_distances.C. References colvarvalue::rvector_value, and colvarvalue::type_unit3vectorderiv.

The documentation for this class was generated from the following files:
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