Published August 14, 2020
| Version v0.2.0
Software
Open
PoreMS: 0.2.0
Creators
- 1. University of Stuttgart, Institute of Thermodynamics and Thermal Process Engineering
Description
PoreMS is a python package for generating pore structures to be used in molecular simulations.
This Version includes a complete restructuring/reprogramming of the code for easier expansion and testing.
- Classes are now standalone. Pore structures are created by running all classes iteratively instead of class interdependences.
- By decoupling the classes, tests for specific classes are possible.
- Provided pore systems are black boxes for an easy pore generation. It is also suggested to use these classes as templates for more individualized pore structures.
Files
Ajax23/PoreMS-v0.2.0.zip
Files
(21.8 MB)
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md5:8d354372a477ae687314e362c32ab313
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Additional details
Related works
- Is supplement to
- https://github.com/Ajax23/PoreMS/tree/v0.2.0 (URL)
- Journal article: 10.1080/08927022.2020.1871478 (DOI)
- Dataset: 10.18419/darus-1170 (DOI)