Published November 2, 2024 | Version v0.3.0
Software Open

PoreMS: 0.3.0

  • 1. University of Stuttgart, Institute of Thermodynamics and Thermal Process Engineering

Description

v0.3.0

  • Reworked generation methodology for easier shape combination and pattern usage
  • Added new alpha-cristobalite pattern
  • Generalization of connectivity search
  • New Lennard Jones parameter (Coasne, B.; Fourkas, J. T. from 10.1021/jp203831q)

Files

Ajax23/PoreMS-v0.3.0.zip

Files (38.6 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/Ajax23/PoreMS/tree/v0.3.0 (URL)
Journal article: 10.1080/08927022.2020.1871478 (DOI)
Dataset: 10.18419/darus-1170 (DOI)