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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:

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...

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Detailed Description

Definition and parsing of the force constant.

Definition at line 85 of file colvarbias_restraint.h.

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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.

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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.

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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.

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

• colvarbias_restraint.h
• colvarbias_restraint.C

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