colvarsoptions.cpp File Reference

#include "gmxpre.h"
#include "colvarsoptions.h"
#include "config.h"
#include <cstddef>
#include <filesystem>
#include <fstream>
#include <optional>
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/mdtypes/imdpoptionprovider_helpers.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/ioptionscontainerwithsections.h"
#include "gromacs/options/optionsection.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/keyvaluetree.h"
#include "gromacs/utility/path.h"
#include "gromacs/utility/strconvert.h"
#include "gromacs/utility/textreader.h"
#include "gromacs/utility/vec.h"
#include "colvarsMDModule.h"

Include dependency graph for colvarsoptions.cpp:

Description

Implements options for Colvars. Keep a minimal ColvarsOptions implementation in the case Colvars is not activated to ensure compatbility (with gmx tools for example).

Functions
std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::moduleName ()
	Helper function to make a std::string containing the module name.

Variables
const std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::c_activeTag_ = "active"
	Following Tags denotes names of parameters from .mdp file. More...
const std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::c_colvarsFileNameTag_ = "configfile"
const std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::c_colvarsSeedTag_ = "seed"
const std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::c_inputStreamsTag_ = "inputStreams"
	This tags for parameters which will be generated during grompp and stored into *.tpr file via KVT.
const std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::c_configStringTag_ = "configString"
const std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::c_startingCoordsTag_ = "startingCoords"
const std::string	gmx::anonymous_namespace{colvarsoptions.cpp}::c_ensTempTag_ = "ensTemp"