Gromacs
2024.4
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#include "gmxpre.h"
#include "electricfield.h"
#include <cmath>
#include <memory>
#include <string>
#include "gromacs/commandline/filenm.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/math/units.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/exceptions.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
#include "gromacs/utility/keyvaluetreetransform.h"
#include "gromacs/utility/pleasecite.h"
#include "gromacs/utility/strconvert.h"
Defines data structure and utilities for electric fields.
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... | |