Gromacs
2024.4
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#include "gmxpre.h"
#include "colvarsoptions.h"
#include "config.h"
#include <fstream>
#include "gromacs/math/vec.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/optionsection.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
#include "gromacs/utility/keyvaluetreetransform.h"
#include "gromacs/utility/path.h"
#include "gromacs/utility/strconvert.h"
#include "gromacs/utility/textreader.h"
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 | |
template<class ToType , class TransformWithFunctionType > | |
void | gmx::anonymous_namespace{colvarsoptions.cpp}::colvarsMdpTransformFromString (IKeyValueTreeTransformRules *rules, TransformWithFunctionType transformationFunction, const std::string &optionTag) |
Helper to declare mdp transform rules. More... | |