electricfield.cpp File Reference

#include "gmxpre.h"
#include "electricfield.h"
#include <cmath>
#include <cstdio>
#include <filesystem>
#include <functional>
#include <memory>
#include <string>
#include <vector>
#include "gromacs/commandline/filenm.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/forceoutput.h"
#include "gromacs/mdtypes/iforceprovider.h"
#include "gromacs/mdtypes/imdmodule.h"
#include "gromacs/mdtypes/imdoutputprovider.h"
#include "gromacs/mdtypes/imdpoptionprovider.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/ioptionscontainerwithsections.h"
#include "gromacs/options/optionsection.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
#include "gromacs/utility/keyvaluetreetransform.h"
#include "gromacs/utility/pleasecite.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/strconvert.h"
#include "gromacs/utility/stringutil.h"

Include dependency graph for electricfield.cpp:

Description

Defines data structure and utilities for electric fields.

Author

David van der Spoel david.nosp@m..van.nosp@m.dersp.nosp@m.oel@.nosp@m.icm.u.nosp@m.u.se

Classes
class	gmx::anonymous_namespace{electricfield.cpp}::ElectricFieldDimension
	Describes an applied electric field in a coordinate dimension. More...
class	gmx::anonymous_namespace{electricfield.cpp}::ElectricField
	Describe time dependent electric field. More...

Functions
void	gmx::anonymous_namespace{electricfield.cpp}::convertParameters (gmx::KeyValueTreeObjectBuilder *builder, const std::string &value)
	Converts dynamic parameters from new mdp format to (E0, omega, t0, sigma).
std::unique_ptr< IMDModule >	gmx::createElectricFieldModule ()
	Creates a module for an external electric field. More...