Name | Modified | Size | Downloads / Week |
---|---|---|---|
README | 2013-03-10 | 985 Bytes | |
NaRIBaS-v1.0.zip | 2013-03-10 | 5.7 MB | |
Manual_NaRIBaS_v1.0.pdf | 2013-03-10 | 1.1 MB | |
Totals: 3 Items | 6.7 MB | 0 |
The NaRIBaS package is provided as a compressed folder. As a first step, unzip NaRIBaS-v1.0.zip in the directory of choice. NaRIBaS is delivered including the full script collection, a Manual and a Demo. The folder structure of the Demo allows a first look on the way NaRIBaS can be used. The script folder contains the basic frame work and two sample calculations including: (a) Basic example with simple output. (b) Calculation of a simple function. Plotting of the functions. (c) Simulation of a model ionic liquid with impurities, different concentrations. Bulk simulation with several equilibration steps. Calculation and visualization of radial distribution functions. In addition to the basic framework, a comprehensive collection of terminal lines and software specific input files for preparation and analysis of common molecular dynamics (MD) simulations in the field of bulk and slab simulations of ionic liquids are provided. For further information check the Manual.