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A general purpose classical simulation package.

Project Description

RASPA 2014 (version 2.0)

This software is a general purpose classical simulation package. It has been developed at Northwestern University (Evanston, USA) during 2006-2011 in active collaboration with University Pablo de Olavide (Seville, Spain), and the Technical University of Delft.

It can be used for the simulation of molecules in gases, fluids, zeolites, aluminosilicates, metal-organic frameworks, carbon nanotubes and external fields.

Refs:

  1. D. Dubbeldam, S. Calero, D.E. Ellis, and R.Q. Snurr, “RASPA: Molecular Simulation Software for Adsorption and Diffusion in Flexible Nanoporous Materials”, Mol. Sim., 2014.
  2. D. Dubbeldam, A. Torres-Knoop, and K.S. Walton, “On the Inner Workings of Monte Carlo Codes”, Mol. Sim. (special issue on Monte Carlo) 39(14-15), 1253-1292 (2013). http://www.tandfonline.com/doi/full/10.1080/08927022.2013.819102
  3. D. Dubbeldam and R.Q. Snurr, “Recent developments in the molecular modeling of diffusion in nanoporous materials”, Mol. Sim., 33 (4-5), 305-325, 2007 http://www.tandfonline.com/doi/abs/10.1080/08927020601156418
Release History

Release History

This version
History Node

2.0.3

History Node

2.0.2

History Node

2.0.1

History Node

2.0.0

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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
RASPA2-2.0.3-cp34-cp34m-macosx_10_5_x86_64.whl (4.6 MB) Copy SHA256 Checksum SHA256 3.4 Wheel Mar 2, 2016
RASPA2-2.0.3.tar.gz (3.2 MB) Copy SHA256 Checksum SHA256 Source Mar 2, 2016

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