This repository is maintained by GTT Technologies. It's purpose is to provide examples for the ChemApp calculation tool, and how it is being used in actual applications. Various APIs for ChemApp exist for different programming languages. Every contribution in every language possible is welcome.
Please note that the repository and all content is licensed under CC0, which is almost equivalent to being in the public domain. The code provided here is explicitly intended to be reused and modified, serving as inspiration and starting point, without attribution. However, if you benefit from these examples, words of appreciation never hurt anyone.
Some examples will only be able to perform with seperately licensed thermodynamic databases and or a valid ChemApp license. Please contact info@gtt-technologies.de for inquiries of how to obtain a license or said database files.
Please just feel free to open PRs to this repo. We will review your contributions and progress from there. There are no criteria to meet. If applicable, including the Equilib Save files is appreciated, especially since it allows other users to quickly generate a usable cst database on their site. Including cst files directly is not recommended, due to them being tied to the generating User ID and a baked-in expiration date. We may upon review of the data necessary to run an example set up adequate databases from our side.
Generally, a loose suggestion for an example should have the following structure
- everything in an informatively named directory
- a README file (does not need to be markdown format, although this is appreciated)
- if applicable, the Equilib Save file (.equi) that was used to e.g. generate the database files
- all necessary auxiliary files and functions
- if needed, a requirements.txt or similar files that outline the necessary python requirements and modules
Use the Issues of the repo to create questions, or to share ideas and feature requests - or even bug reports. Only those that speak can be heard, and we can not fix a problem we do not know.