DFTtoolbox | quickly build inputs and analyze results

by pipidog Python Version: 1.6.3 License: No License

X-Ray Key Features Code Snippets Community Discussions Vulnerabilities Install Support

kandi X-RAY | DFTtoolbox Summary

DFTtoolbox is a Python library. DFTtoolbox has no vulnerabilities, it has build file available and it has low support. However DFTtoolbox has 2 bugs. You can install using 'pip install DFTtoolbox' or download it from GitHub, PyPI.

DFTtoolbox is a Python module that aims to help computational condensed matter physicist or material scientists who use density functional theory (DFT) codes , such as quantum espresso, abinit, elk, etc., as a tool to study material properties quickly build their calculations and analyze the calculated results.

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Quality

Security

License

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Support

DFTtoolbox has a low active ecosystem.

It has 30 star(s) with 16 fork(s). There are 4 watchers for this library.

It had no major release in the last 12 months.

There are 2 open issues and 1 have been closed. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of DFTtoolbox is 1.6.3

Quality

DFTtoolbox has 2 bugs (0 blocker, 0 critical, 0 major, 2 minor) and 302 code smells.

Security

DFTtoolbox has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

DFTtoolbox code analysis shows 0 unresolved vulnerabilities.

There are 0 security hotspots that need review.

License

DFTtoolbox does not have a standard license declared.

Check the repository for any license declaration and review the terms closely.

Without a license, all rights are reserved, and you cannot use the library in your applications.

Reuse

DFTtoolbox releases are not available. You will need to build from source code and install.

Deployable package is available in PyPI.

Build file is available. You can build the component from source.

Installation instructions are available. Examples and code snippets are not available.

DFTtoolbox saves you 1751 person hours of effort in developing the same functionality from scratch.

It has 3875 lines of code, 110 functions and 30 files.

It has high code complexity. Code complexity directly impacts maintainability of the code.

Top functions reviewed by kandi - BETA

kandi has reviewed DFTtoolbox and discovered the below as its top functions. This is intended to give you an instant insight into DFTtoolbox implemented functionality, and help decide if they suit your requirements.

Read a fatband file
Return list of line numbers that match the given keywords
Search ddos
Generate fatband plot
Generate a colormap
Read band data
Plot fat band structure
Translates state groups
Calculate kdiv from kdiv
Helper function to convert kdiv to QE format
Plot band plot
Return the name of the atom
Generate periodic table
Return list of line numbers that match keywords
Plot the pdos - spectral density
Convert kpath to input
Get xsf coordinates
Extract k - point coordinates from the k - point
Convert cartesian to reduced coordinates

Get all kandi verified functions for this library.

DFTtoolbox Key Features

No Key Features are available at this moment for DFTtoolbox.

DFTtoolbox Examples and Code Snippets

No Code Snippets are available at this moment for DFTtoolbox.

Community Discussions

No Community Discussions are available at this moment for DFTtoolbox.Refer to stack overflow page for discussions.

Community Discussions, Code Snippets contain sources that include Stack Exchange Network

Vulnerabilities

No vulnerabilities reported

Install DFTtoolbox

from the tarball: Just download the tarball. Unzip it and put it anywhere you want. Go to the folder, type:
from PyPI:

Support

For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .

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