# gpyumd

**Repository Path**: pfsuo/gpyumd

## Basic Information

- **Project Name**: gpyumd
- **Description**: gpyumd from github
- **Primary Language**: Unknown
- **License**: MIT
- **Default Branch**: main
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2026-04-29
- **Last Updated**: 2026-04-29

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# `gpyumd`

`gpyumd` is a Python3 interface for [GPUMD](https://github.com/brucefan1983/GPUMD). It helps users generate input and process output files based on the details provided by the [GPUMD documentation](https://gpumd.zheyongfan.org/index.php/Main_Page#Inputs_and_outputs_for_GPUMD). It currently supports up to GPUMD-v3.3.1 and only the `gpumd` executable. Future plans include adding support for the `nep` executable. 

Note: This code extends that in the [thermo](https://github.com/AlexGabourie/thermo) package, but has functionality focused specifically on GPUMD.

## Documentation
The documentation for each of the modules, along with several examples, can be found here:

https://gpyumd.readthedocs.io/