Interface  Description 

DataSourceCollisional 
Interface for a meter that can return a value based on a hardpotential collision.

Class  Description 

MeterAvgBondLength  
MeterBondOrderParameterQ 
The Bond Order Parameter Ql provides a metric that indicates the crystallinity of a box.

MeterDensity 
Meter for measurement of the total molecule number density in a box
Molecule number density is defined (number of molecules)/(volume of box)

MeterDihedralAngle 
Meter for tabulation of a dihedral angle distribution between nearest neighbors.

MeterDipoleSumSquared1site 
meter for (sum dipole)^2, used for dielectric constant calculation

MeterDipoleSumSquaredMappedAverage 
meter for AEE use mapping average

MeterDipoleSumSquaredTIP4PWater 
meter for (sum dipole)^2
used for dielectric constant calculation

MeterEnergy 
Meter for measurement of the total (potential and kinetic) energy in a box
This meter is constructed from kineticenergy and a potentialenergy meters
An instance of this meter is placed in each box to allow for energy measurements in the box

MeterHyperVirial 
Meter for measurement of the hypervirial, r^2 d2u/dr2 + r du/dr

MeterKineticEnergy 
Meter for the total kinetic energy in a box
Computes total KE by summing values of KE returned by every atom in the box.

MeterKineticEnergyFromIntegrator 
Acts as a DataSource to retrieve the energy from the integrator

MeterKineticEnergyRigid 
Meter for the total kinetic energy in a box
Computes total KE by summing values of KE returned by every atom in the box.

MeterLocalDensity 
Meter for measurement of density within a specified subvolume

MeterLocalMoleFraction 
Meter for measurement of species mole fraction within a specified subvolume

MeterMeanSquareDisplacement 
Computes the mean square displacement for a set of atoms.

MeterMoleFraction 
Meter for measurement of the species mole fraction in a box.

MeterMomentumCOM 
Returns the instantaneous total centerofmass momentum, summed over all
leaf atoms in a box.

MeterNMolecules 
Meter for recording the total number of molecules in the box

MeterPositionCOM 
Returns the instantaneous centerofmass position, summed over all
leaf atoms in a box, dividing by the number of atoms.

MeterPotentialEnergy 
Meter for evaluation of the potential energy in a box.

MeterPotentialEnergyFromIntegrator 
Acts as a DataSource to retrieve the energy from the integrator

MeterPressure 
Meter for evaluation of the softpotential pressure in a box.

MeterPressureByVolumeChange 
Evaluates the pressure by examining the change in energy accompanying
small changes in volume.

MeterPressureByVolumeChange.DataSourceExp 
Transforms the scaling from linear (s to +s) to exponential (exp(s) to exp(+s))

MeterPressureHard 
Meter for the pressure (given as the compressibility factor) of a hard potential.

MeterPressureHardTensor  
MeterPressureMolecular 
Meter for evaluation of the softpotential (molecular) pressure in a box.

MeterPressureTensor 
Meter for evaluation of the softpotential pressure tensor in a box.

MeterPressureTensorFromIntegrator 
Acts as a DataSource to retrieve the pressure from the integrator.

MeterProfile 
Meter that takes a (scalar) Meter and records its property as a
1dimensional function of position in the simulation volume.

MeterProfileByAtoms 
Meter that takes a (scalar) Meter and records its property as a
1dimensional function of position in the simulation volume.

MeterProfileByVolume 
Meter that takes a (scalar) Meter and records its property as a
1dimensional function of position in the simulation volume.

MeterRadiusGyration 
Meter for tabulation of the radius of gyration of a set of chain molecules.

MeterRDF 
Meter for tabulation of the atomic radial distribution function (RDF).

MeterRDFPC 
Meter for tabulation of the atomic radial distribution function (RDF).

MeterStructureFactor 
Meter for calculation of structure factor of a group of atoms based on a
particular wave vector.

MeterTemperature 
Meter for measurement of the temperature based on kineticenergy
equipartition.

MeterTensorVelocity 
A meter to compute the velocity component of the pressure tensor.

MeterVolume 
Meter for measurement of the box volume.

MeterWidomInsertion 
Meter to measure the chemical potential (as its exponent: exp(mu/kT)) of a
species via the Widom insertion method.

PotentialCalculationRDF 
PotentialCalculation that simply does the work of collecting an RDF.

Meter
interface, which extends DataSource and adds methods for setting/getting a Box. All
classes in the package implement this interface.