semvec/pypi-packages huggingface dataset:
QuantumTUNA 0.9.0
A user-friendly quantum chemistry program for diatomics.
Requires Python: >=3.12
Keywords: quantum chemistry, molecular physics, hartree-fock, mp2, dft, coupled cluster, theoretical chemistry, computational chemistry, molecular modeling

# TUNA

[![PyPI version](https://img.shields.io/pypi/v/quantumtuna.svg?logo=pypi&logoColor=FFE873)](https://pypi.org/project/QuantumTUNA)
[![Supported Python versions](https://img.shields.io/pypi/pyversions/quantumtuna.svg?logo=python&logoColor=FFE873)](https://pypi.org/project/QuantumTUNA)
[![License](https://img.shields.io/github/license/h-brough/TUNA.svg)](LICENSE)
[![PyPI downloads](https://img.shields.io/pypi/dm/quantumtuna.svg)](https://pypistats.org/packages/QuantumTUNA)


Welcome to TUNA! A user-friendly quantum chemistry program for diatomics. The program contains a collection of quantum chemistry methods, and considerable effort has been taken to document everything. The accompanying manual provides numerous examples and explanations for how TUNA works.

<br>
<p align="center"><img src="https://raw.githubusercontent.com/h-brough/TUNA/9dd6ad4a5705cd38ffa64add120b2296aa9068ce/TUNA%20Logo.svg" alt="Fish swimming through a wavepacket." width=480 /></p>

## Contents

The repository includes:

* This README file
* The TUNA logo
* The file LICENSE with the MIT license
* The folder TUNA containing Python files
* A folder with the GitHub workflows for publishing
* The installation file pyproject.toml
* The installation file setup.py
* The TUNA manual
* A changelog

## Documentation

A copy of the <a href="https://github.com/h-brough/TUNA/blob/main/TUNA%20Manual.pdf">TUNA Manual</a> can be found in this repository, and in the directory where the Python files are installed.

## Using TUNA

### Prerequisites
The program requires Python 3.12 or higher and the following packages:

* numpy
* scipy
* matplotlib
* termcolor

### Installation

The simplest way to install TUNA and its dependencies is by running

```
pip install QuantumTUNA
```

Find the path to where TUNA is installed, `*/TUNA/`, with the other Python site packages.

On Windows, add this folder to PATH by editing the system environment variables.


On MacOS and Linux, find this folder's path and from a terminal, run

```
echo "alias tuna='noglob python3 /*/TUNA/tuna.py'" >> ~/.zshrc
echo "alias TUNA='noglob python3 /*/TUNA/tuna.py'" >> ~/.zshrc
source ~/.zshrc
```

Then, in a new terminal, run ```TUNA --version``` which should print the correct version if TUNA has installed correctly.

### Running

The syntax of the command to run a TUNA calculation is

```
TUNA [Calculation] : [Atom A] [Atom B] [Distance] : [Method] [Basis]
```

Read the manual for details!
code-typer 0.1.1
Terminal-based code showcase tool that simulates human-like typing
Requires Python: >=3.9
Keywords: terminal, code, demo, typing, showcase, conference, presentation, curses, ncurses, syntax-highlighting

# code-typer

Terminal-based code showcase tool that simulates human-like typing of source code files.

## Features

- **Human-like typing simulation** - Variable speed, occasional typos with corrections, natural pauses
- **Syntax highlighting** - Built-in support for Python and SQL, extensible for other languages
- **Multi-file support** - Showcase entire directories with smooth transitions
- **ncurses display** - Proper terminal handling with scrolling and color support
- **Configurable behavior** - Adjust typing speed and error rate

## Installation

```bash
pip install code-typer
```

For development with Cython optimizations:

```bash
pip install code-typer[dev]
```

## Usage

```bash
# Showcase a single file
showcase example.py

# Showcase with custom speed (2x faster)
showcase example.py --speed 2.0

# Showcase with higher error rate
showcase example.py --error-rate 0.05

# Showcase an entire directory
showcase ./src --speed 1.5

# Disable syntax highlighting
showcase example.py --no-highlight
```

## Options

| Option | Description | Default |
|--------|-------------|---------|
| `--speed, -s` | Typing speed multiplier (1.0 = normal) | 1.0 |
| `--error-rate, -e` | Probability of typos (0.0-1.0) | 0.02 |
| `--no-highlight` | Disable syntax highlighting | False |
| `--pause-between-files` | Pause duration between files (seconds) | 1.0 |

## Supported Languages

- Python (`.py`, `.pyx`, `.pxd`)
- SQL (`.sql`)

Additional languages will show without syntax highlighting.

## License

Apache License 2.0
encryption-cli 0.1.0
A cli tool for file encryption
Requires Python: >=3.8
Keywords: file-encryption, encryption, files

# Encryption CLI

Encryption CLI is a command-line tool for encrypting and decrypting files in a directory.

## ⚠️ WARNING

This tool modifies files **in place**.

If used incorrectly, it **may permanently destroy your files**.  
If you lose the encryption key, **data recovery is impossible**.

Use with caution.

The author is **not responsible** for any data loss or damage caused by using this tool.


## Installation

```bash
pip install encryption_cli
```

## Usage

To run this tool, execute:

```bash
encryption_cli
```

You need a Fernet key (your encryption key).

Don’t worry — this tool can generate one for you.