Ecosyste.ms: Repos

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GitHub topics: point-defects

EvanPayne22/Charge-Defect-Plots

Generating charge defect plots with energy correction included.

Language: Python - Size: 310 KB - Last synced: 2 days ago - Pushed: 3 days ago - Stars: 0 - Forks: 0

SMTG-Bham/ShakeNBreak

Defect structure-searching employing chemically-guided bond distortions

Language: Python - Size: 119 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 65 - Forks: 14

kumagai-group/pydefect

Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.

Language: Python - Size: 24.1 MB - Last synced: 24 days ago - Pushed: 25 days ago - Stars: 40 - Forks: 16

SMTG-Bham/doped

doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.

Language: Python - Size: 1.76 GB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 84 - Forks: 21

MehranMotamedi/Predicting-Point-Defects-in-Silicon-using-LSTM-Neural-Networks

Predicting Point Defects in Silicon using LSTM Neural Networks: A Comparative Analysis of Actual and Predicted Intensity Values

Language: Python - Size: 43 KB - Last synced: about 1 year ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0