sarkas.tools.observables#

Module for calculating physical quantities from Sarkas checkpoints.

Functions

arg_update_doc(func)

avg_acf_slices_doc(func)

avg_slices_doc(func)

calc_Sk(nkt, k_list, k_counts, species_np, ...)

Calculate \(S_{ij}(k)\) at each saved timestep.

calc_Skw(nkt, ka_list, species_np, no_dumps, ...)

Calculate the Fourier transform of the correlation function of nkt.

calc_acf_slices_doc(func)

calc_diff_flux_acf(vel, sp_num, sp_conc, sp_mass)

Calculate the diffusion fluxes and their autocorrelations functions in each direction.

calc_elec_current(vel, sp_charge, sp_num)

Calculate the total electric current and electric current of each species.

calc_moments(dist, max_moment, ...)

Calculate the moments of the (velocity) distribution.

calc_nk(pos_data, k_list)

Calculate the instantaneous microscopic density \(n(k)\) defined as

calc_nkt(fldr, slices, dump_step, ...)

Calculate density fluctuations \(n(k,t)\) of all species.

calc_slices_doc(func)

calc_statistical_efficiency(observable, ...)

Todo:

calc_vk(pos_data, vel_data, k_list)

Calculate the instantaneous longitudinal and transverse velocity fluctuations.

calc_vkt(fldr, slices, dump_step, ...)

Calculate the longitudinal and transverse velocities fluctuations of all species.

calculate_herm_coeff(v, distribution, maxpower)

Calculate Hermite coefficients by integrating the velocity distribution function.

col_mapper(keys, vals)

compute_acf_doc(func)

compute_doc(func)

grad_expansion(x, rms, h_coeff)

Calculate the Grad expansion as given by eq.(5.97) in Liboff

kspace_setup(box_lengths, angle_averaging, ...)

Calculate all allowed \(k\) vectors.

load_from_restart(fldr, it)

Load particles' data from dumps.

make_gaussian_plot(time, data, ...)

plot_labels(xdata, ydata, xlbl, ylbl, units)

Create plot labels with correct units and prefixes.

setup_doc(func)

Classes

CurrentCorrelationFunction()

Current Correlation Functions.

DiffusionFlux()

Diffusion Fluxes and their Auto-correlation functions.

DynamicStructureFactor()

Dynamic Structure factor.

ElectricCurrent()

Electric Current Auto-correlation function.

HeatFlux()

Heat Flux.

Observable()

Parent class of all the observables.

PressureTensor()

Pressure Tensor.

RadialDistributionFunction()

Radial Distribution Function.

StaticStructureFactor()

Static Structure Factors.

Thermodynamics()

Thermodynamic functions.

VelocityAutoCorrelationFunction()

Velocity Auto-correlation function.

VelocityDistribution()

Moments of the velocity distributions defined as