From aae5cc30690ee19a53a2fc547c7198db84375b87 Mon Sep 17 00:00:00 2001 From: Aditya Wibawa Sakti Date: Fri, 24 Jun 2022 19:19:53 +0700 Subject: [PATCH] Slightly fix the README --- README.md | 27 ++++++++++++++++++++++++--- 1 file changed, 24 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index da190e6..38f7a3f 100644 --- a/README.md +++ b/README.md @@ -1,10 +1,9 @@ # Computational Molecular and Material Design Environment (CMMDE) -## Introduction +## Background This software is developed for decreasing the barrier in using popular open-source computational chemistry software. Currently, CMMDE can use the following software: 1. [Orca](https://orcaforum.kofo.mpg.de/app.php/portal) - 2. [DFTB+](https://dftbplus.org/) 3. [GROMACS](https://manual.gromacs.org/current/download.html) 4. [DOCK6](https://dock.compbio.ucsf.edu/DOCK_6/index.htm) @@ -12,10 +11,32 @@ This software is developed for decreasing the barrier in using popular open-sour 6. [Quantum Espresso](https://www.quantum-espresso.org/) 7. [xTB via Orca](https://github.com/grimme-lab/xtb) +## About CMMDE +CMMDE is a set of tools based on Python for running computational jobs, as well as analyzing, visualizing, and post-processing the results in free/libre and open source applications for computational molecular & material design. + +Core developers: Adit, Atthar, Hasan, MAM, Tommy +Contributors: Athiya MH, Arifin, Daniel +Core reviewers: Igun, Imam, Parsaoran +Committed users: Yusthinus, Veli, Mirella, Riyanto, Badra, Hilda, Rustaman, Edu + +Tahap kedua peluncuran CMMDE, didahului workshop: + +15 Agustus 2022: +Workshop on Text-Based CMMDE + +16 Agustus 2022: +Workshop on Web-Based CMMDE +Launching CMMDE: Web-Based Version +Launching Consortium on Computational Science Development +(Konsorsium Pengembangan Sains Komputasi) + +Informasi lebih lanjut: cmmde@mki.or.id + + ## Installation 1. Cloning the repository: ```bash -git clone https://git.mki.or.id/adit/CMMDE +git clone https://git.mki.or.id/CoreDev/CMMDE ``` 2. Change directory to CMMDE: ```bash