Path Integral Quantum Monte Carlo
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Class List
Here are the classes, structs, unions and interfaces with brief descriptions:
ActionBaseHolds a base class that all action classes will be derived from
AdvanceHeadMoveA derived class which performs an advance head move, causing the head of a worm in a off-diagonal configuration to advance in imaginary time
AdvanceTailMoveA derived class which performs an advance tail move, causing the tail of a worm in a off-diagonal configuration to advance in imaginary time, resulting in a shorter worm
AzizPotentialComputes the value of the semi-empircal Aziz potential that is known to be accurate for He-4
BipartitionDensityEstimatorCompute density inside film and in bulk separately for Excluded volume potentials
BisectionMoveA derived class which performs a bisection move, which exactly samples the kinetic action
CenterOfMassMoveA derived class which performs a simple displacement of the center of mass of the entire wordline for a particle
ClassicalMonteCarloPre-equilibration via classical Monte Carlo
CloseMoveA derived class which performs a close move, creating a diagonal world line configuration
CommunicatorPerforms input/output
ConstantParametersConstant simulation parameters
ContainerThe base class which holds details on the generalized box that our system will be simulated inside of
CylinderA three dimensional cylinder with fixed boundary conditions in the x and y directions and periodic boundary conditions in the z direction
CylinderEnergyEstimatorComputes the total energy via the thermodynamic estimator
CylinderLinearDensityEstimatorComputes the density as a function of distance along the cylinder axis
CylinderLinearPotentialEstimatorCompute the effective linear potential along the axis of the cylinder
CylinderNumberDistributionEstimatorComputes the probability distribution function for the number of particles
CylinderNumberParticlesEstimatorComputes the average number of particles, as well as density
CylinderOneBodyDensityMatrixEstimatorCompute the one body density matrix n(r) which can be used to find the momentum distribution function and structure factor
CylinderPairCorrelationEstimatorCompute the two-body pair-correlation function, g(r) ~ <rho(r)rho(0)>
CylinderRadialPotentialEstimatorCompute the effective radial potential in a cylinder
CylinderSuperfluidFractionEstimatorCompute the superfluid fraction, as well as the winding number probability distribution
Delta1DPotentialComputes the effective potential from the exact two-body density matrix for delta interactions in 1D
DeltaPotentialComputes the potential energy for delta function interaction potential, approximated here as the limit of a Cauchy distribution
DiagonalFractionEstimatorCompute the fraction of time we spend in the diagonal ensemble
DipolePotentialComputes the potential energy for polarized electrical dipoles with strength D in reduced units where lengths are measured in units of a = m D / ^2 and energies in units of ^2 / m a^2
DisplaceMoveA derived class which performs a simple single slice displacement move
DoubledEstimatorBase class for estimators that use two paths
EndStagingMove
EnergyEstimatorComputes the total energy via the thermodynamic estimator
EntPartEstimatorComputes the Swap Estimator between two paths
EstimatorBaseThe base class that all estimator classes will be derived from
Factory< BaseType(ParamType...)>
FileA basic input/output file class
FixedAzizPotentialComputes the potential energy resulting from a series of fixed helium atoms that are not updated and provide a static 'external' potential
FreePotentialFree potential
Gasparini_1_PotentialComputes potential energy for Gasparini potential
GraphenePotentialThe smooth non-corregated version of the helium-carbon nanotube potential
HardCylinderPotentialComputes the value of the external wall potential for a hard-walled cylindrical cavity
HardRodPotentialComputes the effective potential from the exact two-body density matrix for hard rods in 1D
HardSpherePotentialComputes the effective potential from the exact two-body density matrix for hard spheres in 3D
HarmonicCylinderPotentialComputes the potential energy for an external harmonic potential with axial symmetry
HarmonicPotentialComputes the potential energy for an external harmonic potential
InsertMoveA derived class which performs an insert move, creating an off-diagonal world line configuration with a single worm
JastrowWaveFunctionImplementation of a Jastrow trial wave function suitable for He
KineticEnergyEstimatorComputes the total energy using a mixed estimator
LiebLinigerWaveFunctionImplementation of a Jastrow trial wave function suitable for He
LJCylinderPotentialComputes the value of the external wall potential for a cylindrical cavity
LJHourGlassPotentialComputes the value of the external wall potential for an hour-glass shaped cavity
LocalActionA base class to be inherited by actions that are local in imaginary time
LocalPermutationEstimatorParticle permutation number density histogram
LocalSuperfluidDensityEstimatorCompute the local superfluid density
LookupTableThe particle (bead) lookup table
LorentzianPotentialComputes the potential energy for delta function interaction potential, approximated here as the limit of a Cauchy distribution
MidStagingMove
MoveBaseThe base class that all moves will be derived from
NonLocalActionA base class to be inherited by actions that are non-local in imaginary time
NullEstimatorA dummy estimator that inserts a new line character at the end of a line in a file of scalar estimators
NumberDistributionEstimatorComputes the probability distribution function for the number of particles
NumberParticlesEstimatorComputes the average number of particles, as well as density
OneBodyDensityMatrixEstimatorCompute the one body density matrix n(r) which can be used to find the momentum distribution function and structure factor
OpenMoveA derived class which performs an open move, creating a worm with a well defined head and tail
PairCorrelationEstimatorCompute the two-body pair-correlation function, g(r) ~ <rho(r)rho(0)>
ParametersSimulation Parameters
ParticleCorrelationEstimatorComputes the average position of each particle in 1D at the center time slice
ParticlePositionEstimatorCreate histogram of particle positions
ParticleResolvedPositionEstimatorComputes the average position of each particle in 1D at the center time slice
PathThe space-time trajectories
PathIntegralMonteCarloThe main driver class for the entire path integral monte carlo program
PermutationCycleEstimatorComputes the particle permutation cycle probability distribution
PigsEnergyEstimatorComputes the total energy via the thermodynamic estimator
PIGSOneBodyDensityMatrixEstimatorCompute the one body density matrix n(r) which can be used to find the momentum distribution function and structure factor
PigsThermoEnergyEstimatorComputes the total energy via the thermodynamic estimator
PlaneAreaSuperfluidDensityEstimatorCompute the radially averaged local superfluid density
PlaneParticlePositionEstimatorCreate a 2d histogram of particle positions
PlaneWindingSuperfluidDensityEstimatorCompute the radially averaged local superfluid density
PositionEstimatorComputes the average value of the position in 1D
PotentialBaseThe base class from which all specific potentials are derived from
PotentialEnergyEstimatorComputes the potential energy along the worldline
PrismA NDIM-dimensional hyperprism with periodic boundary conditions
RadialAreaSuperfluidDensityEstimatorCompute the radially averaged local superfluid density
RadialDensityEstimatorCompute the density as a function of position in the radial direction
RadialWindingSuperfluidDensityEstimatorCompute the radially averaged local superfluid density
RecedeHeadMoveA derived class which performs a recede move on the head, causing a worm head to propagate backwards in imaginary time by removing beads and links
RecedeTailMoveA derived class which performs a recede move on the tail, causing a worm tail to propagate backwards in imaginary time by adding beads and links
RemoveMoveA derived class which performs a remove move, creating a diagonal world line configuration by destroying a single worm
SechWaveFunctionImplementation of the Psi_T = sech(a*x) trial wave function suitable for the simple harmonic osscilator
SetupSetup the simulation
SingleWellPotentialComputes the potential energy for an external single well potential
StagingMoveA derived class which performs a staging move, which exactly samples the kinetic action
SubregionOccupationEstimatorComputes the imaginary time resolved "velocity" for the first particle
SuperfluidFractionEstimatorCompute the superfluid fraction, as well as the winding number probability distribution
SutherlandPotentialComputes the potential energy for the periodic Sutherland model which approximates long-range 1/r^2 interactions on a ring
SutherlandWaveFunctionImplementation of the Sutherland model exact wavefunction
SwapBreakMove
SwapEstimatorComputes the Swap Estimator between two paths
SwapHeadMoveA derived class which performs a swap head move, which mixes up worldlines by reconnecting the worm head and is essential for systems with permutation symmetry (such as bosons)
SwapMoveBaseA derived class which forms the base of a swap head and swap tail move class
SwapTailMoveA derived class which performs a swap tail move, which mixes up worldlines by reconnecting the worm tail and is essential for systems with permutation symmetry (such as our bosons)
TabulatedPotentialPre-tabulated potential for complicated functions
ThermoPotentialEnergyEstimatorComputes the total energy using a mixed estimator
TimeEstimatorAn estimator which tracks the ammount of time between bins, summing them into a total at the end
TotalEnergyEstimatorComputes the total energy using a mixed estimator
VelocityEstimatorComputes the imaginary time resolved "velocity" for the first particle
VirialEnergyEstimatorComputes the total energy via the thermodynamic estimator
WaveFunctionBaseHolds a base class that all trial wave function classes will be derived from
WormContains information on the worm
WormPropertiesEstimatorCompute various properties related to the worm in the simulation