analytics.f90 File Reference

Assorted routines and tools for analysing a simulation. More...

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Modules
module	analytics

Functions/Subroutines
subroutine, public	analytics::store_state (averages, config, setup)
	Subroutine to add this configuration to the average.
subroutine, public	analytics::average_state (averages, setup, n_steps)
	Subroutine to compute average occupancies.
integer function, public	analytics::total_particle_count (setup, config)
	Function to count the total number of particles in the box.
subroutine, public	analytics::print_particle_count (setup, config, my_rank)
	Subroutine to print the number of atoms of each species.
subroutine, public	analytics::lattice_shells (setup, shells, configuration)
	Subroutine to compute lattice shell distances.
real(real64) function, dimension(setup%n_species, setup%n_species, n_shells), public	analytics::radial_densities (setup, configuration, n_shells, shell_distances)
	Subroutine to compute radial densities (ASRO parameters)
recursive subroutine	analytics::quicksort (array)
	Implementation of the quicksort algorithm for arrays.

Detailed Description

Assorted routines and tools for analysing a simulation.

This module contains routines for analysing various aspects of a simulation, including counting the number of particles, calculating the neighbours of a given site on the lattice, and calculating the atomic short-range order parameters.

Author

C. D. Woodgate

Date

2019-2025

Definition in file analytics.f90.