https://github.com/lxvm/autosymptr.jl

p-adaptive Monkhorst-Pack integration
https://github.com/lxvm/autosymptr.jl

Last synced: 10 days ago
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p-adaptive Monkhorst-Pack integration

• Host: GitHub
• URL: https://github.com/lxvm/autosymptr.jl
• Owner: lxvm
• License: mit
• Created: 2023-02-13T03:05:41.000Z (almost 2 years ago)
• Default Branch: main
• Last Pushed: 2024-07-01T19:48:24.000Z (7 months ago)
• Last Synced: 2025-01-20T16:54:48.335Z (12 days ago)
• Language: Julia
• Homepage:
• Size: 468 KB
• Stars: 0
• Watchers: 1
• Forks: 1
• Open Issues: 2
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# AutoSymPTR.jl

| Documentation | Build Status | Coverage | Version |

| :-: | :-: | :-: | :-: |

| [![][docs-stable-img]][docs-stable-url] | [![][action-img]][action-url] | [![][codecov-img]][codecov-url] | [![ver-img]][ver-url] |

| [![][docs-dev-img]][docs-dev-url] | [![][pkgeval-img]][pkgeval-url] | [![][aqua-img]][aqua-url] | [![deps-img]][deps-url] |

This package provides p-adaptive quadrature for periodic integrands using the

spectrally-convergent

[Periodic Trapezoidal Rule (PTR)](https://en.wikipedia.org/wiki/Trapezoidal_rule#Periodic_and_peak_functions)

Convergence to a user-specified tolerance is automated by the algorithm.

Additionally, symmetries can be used to reduce the number of distinct quadrature

points needed for the integration, which in computational solid state physics is

known as Monkhorst-Pack integration.

## Algorithm

The algorithm of `autosymptr` is based on the ones described in

- [Kaye et al., (2023)](http://arxiv.org/abs/2211.12959)

- [Hendrik J. Monkhorst and James D. Pack Phys. Rev. B 13, 5188 – Published 15

June 1976](https://doi.org/10.1103/PhysRevB.13.5188)

## Author and Copyright

AutoSymPTR.jl was written by [Lorenzo Van Muñoz](https://web.mit.edu/lxvm/www/),

and is free/open-source software under the MIT license.

## Related packages

- [IteratedIntegration.jl](https://github.com/lxvm/IteratedIntegration.jl)

- [HCubature.jl](https://github.com/JuliaMath/HCubature.jl)

- [Integrals.jl](https://github.com/SciML/Integrals.jl)

[docs-stable-img]: https://img.shields.io/badge/docs-stable-blue.svg

[docs-stable-url]: https://lxvm.github.io/AutoSymPTR.jl/stable/

[docs-dev-img]: https://img.shields.io/badge/docs-dev-blue.svg

[docs-dev-url]: https://lxvm.github.io/AutoSymPTR.jl/dev/

[action-img]: https://github.com/lxvm/AutoSymPTR.jl/actions/workflows/CI.yml/badge.svg?branch=main

[action-url]: https://github.com/lxvm/AutoSymPTR.jl/actions/?query=workflow:CI

[pkgeval-img]: https://juliahub.com/docs/General/AutoSymPTR/stable/pkgeval.svg

[pkgeval-url]: https://juliahub.com/ui/Packages/General/AutoSymPTR

[codecov-img]: https://codecov.io/github/lxvm/AutoSymPTR.jl/branch/main/graph/badge.svg

[codecov-url]: https://app.codecov.io/github/lxvm/AutoSymPTR.jl

[aqua-img]: https://raw.githubusercontent.com/JuliaTesting/Aqua.jl/master/badge.svg

[aqua-url]: https://github.com/JuliaTesting/Aqua.jl

[ver-img]: https://juliahub.com/docs/AutoSymPTR/version.svg

[ver-url]: https://juliahub.com/ui/Packages/AutoSymPTR/UDEDl

[deps-img]: https://juliahub.com/docs/General/AutoSymPTR/stable/deps.svg

[deps-url]: https://juliahub.com/ui/Packages/General/AutoSymPTR?t=2