Classes
class	PLMD::Angle
	Class to compute angles. More...

class	PLMD::AtomNumber
	Simple class to store the index of an atom. More...

class	PLMD::CheckInRange

class	PLMD::Citations
	Class taking care of bibliography. More...

class	PLMD::ves::CoeffsBase

class	PLMD::Communicator
	Class containing wrappers to MPI. More...

class	PLMD::DLLoader
	Class taking care of dynamic loading. More...

class	PLMD::Exception
	Class to deal with Plumed runtime errors. More...

class	PLMD::ves::FermiSwitchingFunction
	Small class to compute fermi switching function. More...

class	PLMD::GridBase

class	PLMD::HistogramBead
	A class for calculating whether or not values are within a given range using : \( \sum_i \int_a^b G( s_i, \sigma*(b-a) ) \). More...

class	PLMD::IFile
	Class for input files. More...

class	PLMD::LeptonCall

class	PLMD::LinkCells
	A class for doing link cells. More...

class	PLMD::LoopUnroller< n >
	Utiliy class for loop unrolling. More...

class	PLMD::NeighborList
	A class that implements neighbor lists from two lists or a single list of atoms. More...

class	PLMD::OFile
	Class for output files. More...

class	PLMD::Random

class	PLMD::RMSD
	A class that implements RMSD calculations This is a class that implements the various infrastructure to calculate the RMSD or MSD respect a given frame. More...

class	PLMD::SwitchingFunction
	Small class to compute switching functions. More...

class	PLMD::SwitchingFunctionAccelerable
	Small class to compute switching functions. More...

class	PLMD::TensorTyped< T, n, m >
	Class implementing fixed size matrices of doubles. More...

class	PLMD::Tools
	Empty class which just contains several (static) tools. More...

class	PLMD::Torsion
	Class to compute torsional angles. More...

class	PLMD::Tree

class	PLMD::TypesafePtr
	Class to deal with propoagation of typesafe pointers. More...

class	PLMD::Units
	Small utility class that contains information about units. More...

class	PLMD::Value
	A class for holding the value of a function together with its derivatives. More...

class	PLMD::VectorTyped< T, n >
	Class implementing fixed size vectors of doubles. More...

Typedefs
typedef Tensor3d	PLMD::Tensor

typedef TensorGeneric< 1, 1 >	PLMD::Tensor1d

typedef TensorTyped< float, 1, 1 >	PLMD::Tensor1f

typedef TensorGeneric< 2, 2 >	PLMD::Tensor2d

typedef TensorTyped< float, 2, 2 >	PLMD::Tensor2f

typedef TensorGeneric< 3, 3 >	PLMD::Tensor3d

typedef TensorTyped< float, 3, 3 >	PLMD::Tensor3f

typedef TensorGeneric< 4, 4 >	PLMD::Tensor4d

typedef TensorTyped< float, 4, 4 >	PLMD::Tensor4f

typedef TensorGeneric< 5, 5 >	PLMD::Tensor5d

typedef TensorTyped< float, 5, 5 >	PLMD::Tensor5f

template<typename T>
using	PLMD::TensorT = TensorTyped<T,3,3>
	Alias for three by three Tensor of any type:

typedef Vector3d	PLMD::Vector
	Alias for three dimensional vectors.

typedef VectorGeneric< 1 >	PLMD::Vector1d
	Alias for one dimensional vectors.

typedef VectorTyped< float, 1 >	PLMD::Vector1f
	Alias for one dimensional vectors.

typedef VectorGeneric< 2 >	PLMD::Vector2d
	Alias for two dimensional vectors.

typedef VectorTyped< float, 2 >	PLMD::Vector2f
	Alias for two dimensional vectors.

typedef VectorGeneric< 3 >	PLMD::Vector3d
	Alias for three dimensional vectors.

typedef VectorTyped< float, 3 >	PLMD::Vector3f
	Alias for three dimensional vectors.

typedef VectorGeneric< 4 >	PLMD::Vector4d
	Alias for four dimensional vectors.

typedef VectorTyped< float, 4 >	PLMD::Vector4f
	Alias for four dimensional vectors.

typedef VectorGeneric< 5 >	PLMD::Vector5d
	Alias for five dimensional vectors.

typedef VectorTyped< float, 5 >	PLMD::Vector5f
	Alias for five dimensional vectors.

template<typename T>
using	PLMD::VectorT = VectorTyped<T,3>
	Alias for three dimensional vectors of any type:

Functions
constexpr double	PLMD::epsilon (std::numeric_limits< double >::epsilon())
	Very small non-zero number.

constexpr double	PLMD::kBoltzmann (0.0083144621)
	Boltzman constant in kj/K.

constexpr double	PLMD::pi (3.141592653589793238462643383279502884197169399375105820974944592307)
	PI.

Variables
constexpr double	PLMD::halfpi =PLMD::pi*0.5
	PI / 2.

constexpr double	PLMD::twopi =PLMD::pi*2.0
	PI * 2.

Detailed Description

Classes providing basic tools in plumed.

Classes of this group are designed to be reusable and to incorporate all sorts of functionality in plumed. We try to keep their documentation as complete and clear as possible so as to increase the chance that they will be reused.

If you implement a new class that you think might be useful to others please add it to the list by including the following inside the header file.