| Name | retmap JSON |
| Version |
1.0a1
JSON |
| download |
| home_page | None |
| Summary | A Python tool for computing and predicting characteristic curves and isotherms from experimental and simulated data. |
| upload_time | 2024-10-01 22:13:59 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.7 |
| license | MIT License |
| keywords |
adsorption
adsorption potential theory
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# RETMAP
> [!WARNING]
> This software is still in alpha development, so certain features may not work as
> intended and the documentation may not be up to date. If you run into any problems,
> please contact the maintainer or open a new issue.
RETMAP (REfined Thermodynamical Model for Adsorption Prediction) is a Python
application used for calculating adsorption properties, such as isobars and isotherms,
using experimental or simulated data. For this, it makes use of Polanyi's adsorption
potential theory, which is an effective method for predicting adsorption properties
in the neighborhood of recorded data.
The full documentation for the software can be found
[here](https://stflavian.github.io/RETMAP/).
## Quick setup
> [!IMPORTANT]
> Most testing has been done using Python 3.12 on Windows and Linux. If you run into
> any issues when installing the application, please let us know by opening a new
> issue.
RETMAP is an application built using Python 3.12, but should be compatible with all
supported versions of Python. In terms of dependencies, RETMAP is built using
Numpy, Scipy, and Matplotlib, which are automatically installed alongside the
application. RETMAP can be installed directly from PyPI using:
> pip install retmap
The application is platform independent, and should behave identically on all
operating systems (Windows, MacOS, Linux, etc.). More details about the installation
can be found [here](https://stflavian.github.io/RETMAP/installation/).
### Running RETMAP
In the working folder containing the configuration file, run:
> retmap config.in
## Terms of use
RETMAP is an open-source project licensed under the MIT licence. Usage of this software
in a scientific work should be cited accordingly.
## Authorship
This project started development during Flavian's Bachelor's End Project at Eindhoven
University of Technology.
**Authors**: F. Stavarache [1], A. Luna-Triguero [2, 3], S. Calero [1, 3], and J. M. Vicent-Luna [1, 3]
[1] Materials Simulation & Modelling, Department of Applied Physics, Eindhoven
University of Technology
[2] Energy Technology, Department of Mechanical Engineering, Eindhoven University of
Technology
[3] Eindhoven Institute for Renewable Energy Systems (EIRES), Eindhoven University of
Technology
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