Code for generating alloy / disordered structures through the special quasirandom structure (SQS) algorithm

Overview

SpecialQuasirandomStructures

Code for generating alloy / disordered structures through the special quasirandom structure (SQS) algorithm

Installation

  • Manual Installation Put sqs.py in any directory and add the path of the directory to PYTHONPATH

export PYTHONPATH=/the/path/of/your/dir:${PYTHONPATH}

Examples in the examples folder

  • Si1-xGex alloy (2D)
  • GaAs with Mn impurities on Ga sublattices (3D)
Owner
Bruno Focassio
PhD student working with computational materials science and machine learning
Bruno Focassio
TikTok X-Gorgon & X-Khronos Generation Algorithm

TikTok X-Gorgon & X-Khronos Generation Algorithm X-Gorgon and X-Khronos headers are required to call tiktok api. I will provide you API as rental or s

TikTokMate 31 Dec 01, 2022
Implementation of Apriori Algorithm for Association Analysis

Implementation of Apriori Algorithm for Association Analysis

3 Nov 14, 2021
Policy Gradient Algorithms (One Step Actor Critic & PPO) from scratch using Numpy

Policy Gradient Algorithms From Scratch (NumPy) This repository showcases two policy gradient algorithms (One Step Actor Critic and Proximal Policy Op

1 Jan 17, 2022
iAWE is a wonderful dataset for those of us who work on Non-Intrusive Load Monitoring (NILM) algorithms.

iAWE is a wonderful dataset for those of us who work on Non-Intrusive Load Monitoring (NILM) algorithms. You can find its main page and description via this link. If you are familiar with NILM-TK API

Mozaffar Etezadifar 3 Mar 19, 2022
Programming Foundations Algorithms With Python

Programming-Foundations-Algorithms Algorithms purpose to solve a specific proplem with a sequential sets of steps for instance : if you need to add di

omar nafea 1 Nov 01, 2021
Nature-inspired algorithms are a very popular tool for solving optimization problems.

Nature-inspired algorithms are a very popular tool for solving optimization problems. Numerous variants of nature-inspired algorithms have been develo

NiaOrg 215 Dec 28, 2022
Implemented page rank program

Page Rank Implemented page rank program based on fact that a website is more important if it is linked to by other important websites using recursive

Vaibhaw 6 Aug 24, 2022
FLIght SCheduling OPTimization - a simple optimization library for flight scheduling and related problems in the discrete domain

Fliscopt FLIght SCheduling OPTimization 🛫 or fliscopt is a simple optimization library for flight scheduling and related problems in the discrete dom

33 Dec 17, 2022
Distributed Grid Descent: an algorithm for hyperparameter tuning guided by Bayesian inference, designed to run on multiple processes and potentially many machines with no central point of control

Distributed Grid Descent: an algorithm for hyperparameter tuning guided by Bayesian inference, designed to run on multiple processes and potentially many machines with no central point of control.

Martin 1 Jan 01, 2022
A custom prime algorithm, implementation, and performance code & review

Colander A custom prime algorithm, implementation, and performance code & review Pseudocode Algorithm 1. given a number of primes to find, the followi

Finn Lancaster 3 Dec 17, 2021
A Python program to easily solve the n-queens problem using min-conflicts algorithm

QueensProblem A program to easily solve the n-queens problem using min-conflicts algorithm Performances estimated with a sample of 1000 different rand

0 Oct 21, 2022
A simple python application to visualize sorting algorithms.

Visualize sorting algorithms A simple python application to visualize sorting algorithms. Sort Algorithms Name Function Name O( ) Bubble Sort bubble_s

Duc Tran 3 Apr 01, 2022
A Python Package for Portfolio Optimization using the Critical Line Algorithm

A Python Package for Portfolio Optimization using the Critical Line Algorithm

19 Oct 11, 2022
All algorithms implemented in Python for education

The Algorithms - Python All algorithms implemented in Python - for education Implementations are for learning purposes only. As they may be less effic

1 Oct 20, 2021
Genetic Algorithm for Robby Robot based on Complexity a Guided Tour by Melanie Mitchell

Robby Robot Genetic Algorithm A Genetic Algorithm based Robby the Robot in Chapter 9 of Melanie Mitchell's book Complexity: A Guided Tour Description

Matthew 2 Dec 01, 2022
A pure Python implementation of a mixed effects random forest (MERF) algorithm

Mixed Effects Random Forest This repository contains a pure Python implementation of a mixed effects random forest (MERF) algorithm. It can be used, o

Manifold 199 Dec 06, 2022
Official implementation of "Path Planning using Neural A* Search" (ICML-21)

Path Planning using Neural A* Search (ICML 2021) This is a repository for the following paper: Ryo Yonetani*, Tatsunori Taniai*, Mohammadamin Barekata

OMRON SINIC X 82 Jan 07, 2023
This application solves sudoku puzzles using a backtracking recursive algorithm

This application solves sudoku puzzles using a backtracking recursive algorithm. The user interface is coded with Pygame to allow users to easily input puzzles.

Glenda T 0 May 17, 2022
Distributed algorithms, reimplemented for fun and practice

Distributed Algorithms Playground for reimplementing and experimenting with algorithms for distributed computing. Usage Running the code for Ring-AllR

Mahan Tourkaman 1 Oct 16, 2022
Python Package for Reflection Ultrasound Computed Tomography (RUCT) Delay And Sum (DAS) Algorithm

pyruct Python Package for Reflection Ultrasound Computed Tomography (RUCT) Delay And Sum (DAS) Algorithm The imaging setup is explained in these paper

Berkan Lafci 21 Dec 12, 2022