semvec/pypi-packages huggingface dataset:
orbvis 1.0.2
A python package to vizualize orbital-resolved band structure and DOS
License: MIT
Requires Python: >=3.8

# Orbvis

**Orbital-resolved band structure and DOS vizualization tool**

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## Overview

`orbvis` is a Python package for visualizing orbital-resolved **electronic band structures** and **density of states (DOS)**. It is designed to work with output from VASP, and provides clean plots suitable for publication.

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## Features

- Orbital-resolved band structure plotting (`orbscatter`)
- Partial density of states (pDOS) plotting (`plot_pdos`)
- Easy configuration via plain text files (Similar to VASP INCAR file)
- Modular structure with `band` and `dos` submodules
- Distinct orbital colors via `distinctipy`
- Command-line interface (CLI) support

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## Documentation

Comprehensive documentation is available in the [docs](https://github.com/staradutt/orbvis/tree/main/docs) directory of the GitHub repository.

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## Examples

Explore example scripts and usage scenarios in the [examples](https://github.com/staradutt/orbvis/tree/main/examples) directory.

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## Contact

For questions, feature requests, or bug reports, please open an issue:[issues](https://github.com/staradutt/orbvis/issues)

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## Installation

### Using pip

```bash
pip install orbvis
tools-for-tl-glow-curves 1.0.1
Python tools for analyzing Thermoluminescence (TL) glow curves
License: MIT
Requires Python: >=3.8

# Tools for TL Glow Curves


This Python package provides tools for analyzing **thermoluminescence (TL) glow curves**.  
It includes functions for calculating activation energies using various classical methods, extracting peak parameters, and generating informative visualizations of TL peaks.

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## Features

- **Initial Rise Method (`Initial_rise_TL`)**  
  Estimates the activation energy (Ea) from the initial rise of the TL glow curve.  
  Generates plots of TL vs Temperature and ln(TL) vs 1/(kT) with linear fit.

- **Peak Parameters (`TL_peak_parameters`)**  
  Extracts key TL peak features:  
  - Maximum intensity (**Imax**)  
  - Half intensity (**I½**)  
  - Temperatures (**T1**, **T2**, **Tm**)  
  - Peak widths: left (**τ**), right (**δ**), total (**ω**)  
  - Shape factor (**μ**)  
  Generates plots with TL curve and marked peak points.

- **Activation Energy from Peak Shape (`energy_activation_peak_parameters`)**  
  Calculates Ea using three methods based on peak geometry: τ, δ, and ω.  
  Computes the geometric shape factor μ.  
  Generates annotated TL plots.

- **Activation Energy from Peak Position (`energy_activation_peak_position`)**  
  Estimates Ea from the peak temperature (**Tm**) using semi-empirical relations.  
  Requires the frequency factor (**s**) as input.  
  Produces a plot highlighting the peak position.

```

# Example: TL curve
T =   # Temperature in K
I =  # TL peak

# Apply Initial Rise method
Initial_rise_TL(T, I, Tini=100, Tfin=200)

# Extract peak parameters
TL_peak_parameters(T, I)

# Estimate activation energy from peak shape
energy_activation_peak_parameters(T, I)

# Estimate activation energy from peak position (requires frequency factor s)
energy_activation_peak_position(T, I, s=1e12)