https://github.com/vitroid/genice-localstruct

Local structure indices plugin for GenIce.
https://github.com/vitroid/genice-localstruct

Last synced: over 1 year ago
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Local structure indices plugin for GenIce.

• Host: GitHub
• URL: https://github.com/vitroid/genice-localstruct
• Owner: vitroid
• Created: 2019-04-23T09:02:46.000Z (about 7 years ago)
• Default Branch: master
• Last Pushed: 2019-07-24T16:40:58.000Z (almost 7 years ago)
• Last Synced: 2025-01-21T08:44:59.177Z (over 1 year ago)
• Language: Python
• Size: 7.81 KB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
# genice-localstruct

A [GenIce](https://github.com/vitroid/GenIce) plugin to calculate local structure indices for water.

## Requirements

* [GenIce](https://github.com/vitroid/GenIce) >=0.23.

## Installation from PyPI

    % pip install genice-localstruct

## Manual Installation

### System-wide installation

    % make install

### Private installation

Copy the files in genice_bondtwist/formats/ into your local formats folder of GenIce.

## Usage

	% genice T2 -f localstruct > T2.local