Project description

QuantumSculpt

QuantumSculpt is a bundle of Python scripts to analyze the electronic structure of systems calculated using VASP. QuantumSculpt is designed to operate on VASP WAVECAR files and on the output files of Lobster, specifically DOS and COHP type of files.

Installation

Anaconda

conda install -c ifilot quantumsculpt

PyPi

pip install quantumsculpt

Manual

See: https://quantumsculpt-inorganic-materials-chemistry-5002ad1bf06a7fa61a5.pages.tue.nl/

Project details

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Project links

Release history Release notifications | RSS feed

0.2.0

Feb 17, 2024

0.1.7

Dec 29, 2023

0.1.6

Dec 21, 2023

0.1.5

Dec 21, 2023

0.1.4

Dec 19, 2023

This version

0.1.3

Dec 17, 2023

0.1.2

Dec 17, 2023

0.1.1

Dec 16, 2023

0.1.0

Dec 16, 2023

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Source Distribution

quantumsculpt-0.1.3.tar.gz (15.0 MB view hashes)

Uploaded Dec 17, 2023 Source

Built Distribution

quantumsculpt-0.1.3-py3-none-any.whl (36.9 kB view hashes)

Uploaded Dec 17, 2023 Python 3

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