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impurity

https://github.com/duumbo/impurity

Science Score: 44.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (12.3%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

Basic Info
  • Host: GitHub
  • Owner: Duumbo
  • License: mit
  • Language: Rust
  • Default Branch: main
  • Size: 1.64 MB
Statistics
  • Stars: 3
  • Watchers: 1
  • Forks: 0
  • Open Issues: 0
  • Releases: 3
Created over 2 years ago · Last pushed 8 months ago
Metadata Files
Readme License Citation

README.md

# Impurity ![Rust](https://img.shields.io/badge/rust-%23000000.svg?style=for-the-badge&logo=rust&logoColor=white) ![Tests](https://img.shields.io/github/actions/workflow/status/Duumbo/impurity/rust.yml?color=%23a3d1af&style=for-the-badge) ![PULLREQUESTS](https://img.shields.io/github/issues-pr-closed/Duumbo/impurity?color=pink&style=for-the-badge)

Purpose

Implementation of an impurity solver for the Hubbard model.

Requirements

  • lapack
  • blas
  • pfapack or gfortran

You can choose your implementation for blas, I use intel-mkl. Simply modify the Cargo.toml for your preference.

Build

To build, simply shell cargo build -r To run the main script, shell cargo run -r

Run Tests

To run the tests, this includes unit tests, tests inside the tests directory and the exemple in the documentation, run shell cargo test

Speed Benchmarks

Speed micro-benchmarks are implemented in the benches directory. To see if an implementation improved or regressed, you need to run both implementation with shell cargo bench To implement a new micro-bench, simply add a new benchmark in the appropriate file in the benches/benchmarks directory, then add the function to the benchmark main.

Todo

See my Trello.

CodeStyle

Commit messages follow the angular convention. Must be one of the following: - build: Changes that affect the build system or external dependencies - ci: Changes to our CI configuration files and scripts - docs: Documentation only changes - feat: A new feature - fix: A bug fix - perf: A code change that improves performance - refactor: A code change that neither fixes a bug nor adds a feature - style: Changes that do not affect the meaning of the code (white-space, formatting, missing semi-colons, etc) - test: Adding missing tests or correcting existing tests The scope is ommited.

Owner

  • Name: Dimitri Bonanni-Surprenant
  • Login: Duumbo
  • Kind: user
  • Location: Sherbrooke

Physics undergrad and coding enthusiast.

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
  - family-names: "Bonanni-Surprenant"
    given-names: "Dimitri"
  - family-names: "Charlebois"
    given-names: "Maxime"
title: "VMC impurity solver"
date-released: 2023-08-11

GitHub Events

Total
  • Release event: 2
  • Watch event: 2
  • Delete event: 1
  • Push event: 22
  • Pull request event: 9
  • Create event: 5
Last Year
  • Release event: 2
  • Watch event: 2
  • Delete event: 1
  • Push event: 22
  • Pull request event: 9
  • Create event: 5

Dependencies

.github/workflows/rust.yml actions
  • actions/checkout v3 composite
Cargo.lock cargo
  • 176 dependencies
Cargo.toml cargo
  • assert 0.7.4 development
  • criterion 0.5.1 development
  • blas 0.22.0
  • blas-sys 0.7.1
  • csv 1.2.2
  • derive_more 0.99.16
  • intel-mkl-src 0.8.1
  • intel-mkl-tool 0.8.1
  • lapack 0.19.0
  • lapack-sys 0.14.0
  • num 0.4.0
  • pfapack 0.2.0
  • rand 0.8.5