{ "info": { "author": "David Dubbeldam", "author_email": "D.Dubbeldam@uva.nl", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Framework :: IPython", "Natural Language :: English", "Operating System :: Unix", "Programming Language :: C", "Programming Language :: Python", "Programming Language :: Python :: 2", "Programming Language :: Python :: 3", "Topic :: Scientific/Engineering :: Chemistry" ], "description": "RASPA 2014 (version 2.0)\n========================\n\nThis software is a general purpose classical simulation package. It has been developed at\nNorthwestern University (Evanston, USA) during 2006-2011 in active collaboration \nwith University Pablo de Olavide (Seville, Spain), and the Technical University of Delft.\n\nIt can be used for the simulation of molecules in gases, fluids, zeolites, aluminosilicates,\nmetal-organic frameworks, carbon nanotubes and external fields.\n\nRefs:\n=====\n1) D. Dubbeldam, S. Calero, D.E. Ellis, and R.Q. Snurr, \"RASPA: Molecular Simulation Software for Adsorption and Diffusion in Flexible Nanoporous Materials\",\n Mol. Sim., 2014.\n2) D. Dubbeldam, A. Torres-Knoop, and K.S. Walton, \"On the Inner Workings of Monte Carlo Codes\", \n Mol. Sim. (special issue on Monte Carlo) 39(14-15), 1253-1292 (2013).\n http://www.tandfonline.com/doi/full/10.1080/08927022.2013.819102\n3) D. Dubbeldam and R.Q. Snurr, \"Recent developments in the molecular modeling of diffusion in nanoporous materials\", \n Mol. 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