castep2fs

https://github.com/zachary-hawk/castep2fs

Science Score: 54.0%

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

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CITATION.cff file
Found CITATION.cff file
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codemeta.json file
Found codemeta.json file
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.zenodo.json file
Found .zenodo.json file
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DOI references
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Academic publication links
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Committers with academic emails
2 of 4 committers (50.0%) from academic institutions
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Institutional organization owner
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JOSS paper metadata
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Scientific vocabulary similarity
Low similarity (4.4%) to scientific vocabulary

Last synced: 7 months ago · JSON representation ·

Repository

Basic Info

Host: GitHub
Owner: zachary-hawk
Language: Python
Default Branch: main
Size: 8.94 MB

Statistics

Stars: 1
Watchers: 1
Forks: 1
Open Issues: 0
Releases: 0

Created almost 5 years ago · Last pushed about 3 years ago

Metadata Files

Readme Citation

README.md

castep2fs

A CASTEP utility for taking a CASTEP output and producing publication quality Fermi Surfaces and related quantities.

Requirements

This code is built upon the wonderful PyVista platform (https://docs.pyvista.org) and makes use of the Atomic Simulation Environment (https://wiki.fysik.dtu.dk/ase).

Usage

castep2fs reads castep input and output files. ``` input : .cell output: .bands -out.cell (optional but improves performance)

castep2fs ```

For help run: castep2fs -h

Installation

pip install git+https://github.com/zachary-hawk/castep2fs.git

Owner

Name: Zachary Hawkhead
Login: zachary-hawk
Kind: user

Repositories: 4
Profile: https://github.com/zachary-hawk

I am a PhD student at the University of Durham working in theoretical condensed matter physics.

Citation (CITATION.cff)

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: Hawkhead
  given-names: Zachary
orcid: https://orcid.org/0000-0001-6263-5237
title: "castep2fs: A CASTEP tool for calculating Fedrmi surfaces"
version: 1.0.0
date-released: 2022-5-4
url: https://github.com/zachary-hawk/castep2fs/

GitHub Events

Total

Last Year

Committers

Last synced: about 3 years ago

All Time

Total Commits: 20
Total Committers: 4
Avg Commits per committer: 5.0
Development Distribution Score (DDS): 0.6

Top Committers

Name	Email	Commits
Zachary Hawkhead	z**d@y**m	8
Zachary Hawkhead	z**d@d**k	7
Zachary Hawkhead	s**3@c**k	3
Zachary Hawkhead	4**k@u**m	2

Committer Domains (Top 20 + Academic)

cmpc7.phycmx.dur.ac.uk: 1 durham.ac.uk: 1 ymail.com: 1

Issues and Pull Requests

Last synced: 8 months ago

All Time

Total issues: 0
Total pull requests: 0
Average time to close issues: N/A
Average time to close pull requests: N/A
Total issue authors: 0
Total pull request authors: 0
Average comments per issue: 0
Average comments per pull request: 0
Merged pull requests: 0
Bot issues: 0
Bot pull requests: 0

Past Year

Issues: 0
Pull requests: 0
Average time to close issues: N/A
Average time to close pull requests: N/A
Issue authors: 0
Pull request authors: 0
Average comments per issue: 0
Average comments per pull request: 0
Merged pull requests: 0
Bot issues: 0
Bot pull requests: 0

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Top Authors

Issue Authors

Pull Request Authors

Top Labels

Issue Labels

Pull Request Labels

Packages

Total packages: 1
Total downloads:
- pypi 25 last-month

Total dependent packages: 0
Total dependent repositories: 1
Total versions: 5
Total maintainers: 1

pypi.org: castep2fs

CASTEP utility for calculating Fermi surfaces and related properties.

Homepage: https://github.com/zachary-hawk/castep2fs.git
Documentation: https://castep2fs.readthedocs.io/
License: MIT
Latest release: 1.0.4
published almost 5 years ago

Versions: 5
Dependent Packages: 0
Dependent Repositories: 1
Downloads: 25 Last month

Rankings

Dependent packages count: 10.1%

Dependent repos count: 21.5%

Forks count: 29.8%

Average: 31.7%

Stargazers count: 38.8%

Downloads: 58.2%

Maintainers (1)

zachary_hawk

Last synced: 7 months ago

Dependencies

setup.py pypi

ase >=3.18.1
matplotlib *
numpy *
pyvista ==0.37.0
scipy *
vtk *