Using the R.I.N.G.S. code

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Using R.I.N.G.S.

Using the R.I.N.G.S. code

This part of the documentation presents what users should know in order to run the R.I.N.G.S. code

The outputting system of the R.I.N.G.S. code

This document is a guide to understand the outputting system of the R.I.N.G.S. code - [ !!! Not finished !!! ]

The result(s) of each calculation that can be run by applying the corresponding option in the R.I.N.G.S. code "options" file will be presented thereafter,
In a general way after a calculation a new directory is created and named based upon this calculation, in this new directory several files can be created to save the result(s) of the analysis:

Evaluation of the radial distribution functions: the new "gr" directory
Evaluation of the structure factor from FFT[g(r)]: the new "sq" directory
Evaluation of the structure factor from the Debye equation: the new "sk" directory
Evaluation of the radial distribution functions forom FFT[S(q) Debye]: the new "grfft" directory
Evaluation of the mean square displacement MSD: the new "msd" directory
Evaluation of the bond properties: the new "bonds" directory
Evaluation of the angles distribution: the new "angles" directory
Evaluation of the ring statistics: the new "rstat" directory
Evaluation of the void statistics: the new "voids" directory
Output of the OpenDX files: the new "dx" directory

Last Updated on Tuesday, 10 July 2012 03:06 Read more...

Installing the R.I.N.G.S. code

In order to install / compile the R.I.N.G.S. code:

Download the R.I.N.G.S. code distribution package on your computer
Open the R.I.N.G.S. code distribution package and change directory to the 'rings-code' directory
Configure the R.I.N.G.S. code simply using the the 'configure' script:
]$ ./configure
Then build and install the R.I.N.G.S. code:
]$ make
]$ make install

Last Updated on Wednesday, 07 October 2009 16:30 Read more...

The R.I.N.G.S. code 'input' file

In order to setup a calculation using the R.I.N.G.S. 2 files are needed:

1) an input file - name does not matter
2) a file which must be named "options"

The "input" file describes the system that will be studied when running the R.I.N.G.S. code.

Last Updated on Thursday, 11 October 2012 03:07 Read more...

Running a R.I.N.G.S. calculation

In order to run a calculation using the R.I.N.G.S. code:

Choose a working directory in which the following files/directory have to be present:
- an 'input' file which describes the system to be studied (ex: my-input)
- a file named ' options' which describes the calculation(s) to be performed
- a directory named 'data' which contains the configuration(s) file(s) to be studied, the file(s) format(s) can be:
  - S.I.E.S.T.A. single 'multiple xyz' file
  - FIREBALL multiple 'msf' files
  - C.P.M.D. single 'trajectory' file
  - V.A.S.P. single 'xdatcar' file
  - P.D.B. single 'PDB - Protein Data Bank' file
Simply run the R.I.N.G.S. code:

]$ rings my-input

Last Updated on Tuesday, 05 October 2010 12:48 Read more...

The R.I.N.G.S. code 'options' file

In order to setup a calculation using the R.I.N.G.S. 2 files are needed:

1) an input file - name does not matter
2) a file which must be named "options"

The "options" file describes the analysis that will be performed when running the R.I.N.G.S. code.

Last Updated on Thursday, 17 November 2011 18:22 Read more...

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R.I.N.G.S. Rigorous Investigation of Networks Generated using Simulations

The outputting system of the R.I.N.G.S. code

This document is a guide to understand the outputting system of the R.I.N.G.S. code - [ !!! Not finished !!! ]

Installing the R.I.N.G.S. code

The R.I.N.G.S. code 'input' file

Running a R.I.N.G.S. calculation

The R.I.N.G.S. code 'options' file

Key Concepts

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