Useful-information

This repo has introductory information and submission scripts for the Applied Computational Chemistry Course Chem 537 at WSU

Here is a list of useful tutorials:

1. installing python and jupyter notebooks on a mac and PC
2. introduction to linux operating systems - added as a pdf to this repository, also available at: https://tldp.org/LDP/intro-linux/intro-linux.pdf also great YouTube videos at: https://phoenixts.com/blog/9-youtube-channels-to-learn-linux-online/ and Linux basic commands cheat sheet: https://www.guru99.com/linux-commands-cheat-sheet.html
3. introduction to text editors: https://phoenixnap.com/kb/best-linux-text-editors-for-coding I will be using VIM for the course, but you are free to choose any text editor you wish, though you may need to install one on your laptop if it is not native.
4. Kamiak training tutorial: https://hpc.wsu.edu/news-events-and-training/training/
5. Intro for beginners to GitHub: https://docs.github.com/en/get-started/quickstart/hello-world
6. Using Packmol (code in this repo): http://leandro.iqm.unicamp.br/m3g/packmol/userguide.shtml

Here is a list of useful books

Cramer, C. J., Essentials of Computational Chemistry Theories and Models. 2nd ed.; John Wiley & Sons, Incorporated: 2004. ISBN: 9780470091821

Jensen, F., Introduction to Computational Chemistry. 2nd ed.; Wiley: 2006. ISBN: 0470011866

Jensen, F., Introduction to Computational Chemistry. 3rd ed.; Wiley: 2017. ISBN: 1118825993

Introductory material in this repo:

1. introduction to force fields
2. VMD tutorial - see also https://www.ks.uiuc.edu/Training/Tutorials/vmd/tutorial-html/

This repo also contains submission scripts:

1. a lammps submission script: lammps.sh