Published April 22, 2024 | Version v1.0.0
Software Open

AkimovLab/Project_Libra-eQE: v1.0.0

Creators

  • 1. University at Buffalo

Description

Overview

This repository contains the input and some key output files for NA-MD calculations of periodic pentacene systems using the Libra/eQE interface.

What's Changed

  • Added the input file and plotting code, the output file took up too m… by @SpringDabao in https://github.com/AkimovLab/Project_Libra-eQE/pull/1
  • Update by @SpringDabao in https://github.com/AkimovLab/Project_Libra-eQE/pull/2

New Contributors

  • @SpringDabao made their first contribution in https://github.com/AkimovLab/Project_Libra-eQE/pull/1

Full Changelog: https://github.com/AkimovLab/Project_Libra-eQE/commits/v1.0.0

Files

AkimovLab/Project_Libra-eQE-v1.0.0.zip

Files (96.2 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/AkimovLab/Project_Libra-eQE/tree/v1.0.0 (URL)