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colvarbias_restraint_k Class Reference

Definition and parsing of the force constant. More...

#include <colvarbias_restraint.h>

Inheritance diagram for colvarbias_restraint_k:

colvarbias_restraint colvarbias colvarbias_ti colvarparse colvardeps colvarbias colvarparams colvarparse colvardeps colvarparams colvarbias_restraint_k_moving colvarbias_restraint_harmonic colvarbias_restraint_harmonic_walls colvarbias_restraint_linear List of all members.

Public Methods

 colvarbias_restraint_k (char const *key)
virtual int init (std::string const &conf)
 \brief Parse config string and (re)initialize. More...

virtual int change_configuration (std::string const &conf)
 Load new configuration - force constant and/or centers only. More...


Protected Attributes

cvm::real force_k
 \brief Restraint force constant. More...

bool check_positive_k
 \brief Whether the force constant should be positive. More...


Detailed Description

Definition and parsing of the force constant.

Definition at line 85 of file colvarbias_restraint.h.


Constructor & Destructor Documentation

colvarbias_restraint_k::colvarbias_restraint_k char const *    key
 

Definition at line 155 of file colvarbias_restraint.C.

References check_positive_k, and force_k.


Member Function Documentation

int colvarbias_restraint_k::change_configuration std::string const &    conf [virtual]
 

Load new configuration - force constant and/or centers only.

Reimplemented from colvarbias_restraint.

Reimplemented in colvarbias_restraint_k_moving.

Definition at line 174 of file colvarbias_restraint.C.

References conf, force_k, and colvarparse::get_keyval.

Referenced by colvarbias_restraint_linear::change_configuration, and colvarbias_restraint_harmonic::change_configuration.

int colvarbias_restraint_k::init std::string const &    conf [virtual]
 

\brief Parse config string and (re)initialize.

Reimplemented from colvarbias_restraint.

Reimplemented in colvarbias_restraint_k_moving.

Definition at line 163 of file colvarbias_restraint.C.

References check_positive_k, COLVARS_INPUT_ERROR, conf, colvarmodule::error, force_k, and colvarparse::get_keyval.

Referenced by colvarbias_restraint_k_moving::init.


Member Data Documentation

bool colvarbias_restraint_k::check_positive_k [protected]
 

\brief Whether the force constant should be positive.

Definition at line 100 of file colvarbias_restraint.h.

Referenced by colvarbias_restraint_k, colvarbias_restraint_linear::colvarbias_restraint_linear, and init.

cvm::real colvarbias_restraint_k::force_k [protected]
 

\brief Restraint force constant.

Definition at line 97 of file colvarbias_restraint.h.

Referenced by change_configuration, colvarbias_restraint_k, colvarbias_restraint_linear::energy_difference, colvarbias_restraint_harmonic::energy_difference, colvarbias_restraint_k_moving::get_state_params, colvarbias_restraint_linear::init, colvarbias_restraint_harmonic_walls::init, colvarbias_restraint_harmonic::init, colvarbias_restraint_k_moving::init, init, colvarbias_restraint_linear::restraint_force, colvarbias_restraint_harmonic_walls::restraint_force, colvarbias_restraint_harmonic::restraint_force, colvarbias_restraint_linear::restraint_potential, colvarbias_restraint_harmonic_walls::restraint_potential, colvarbias_restraint_harmonic::restraint_potential, colvarbias_restraint_k_moving::set_state_params, and colvarbias_restraint_k_moving::update.


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