Tools for DDSCAT
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randomsphere
runavconv
slabddscat
README.txt

README.txt

==========================
DDSCAT-tools (2015.02.23)
==========================

Utilities for the Discrete Dipole Approximation method implemented in the software DDSCAT:

http://code.google.com/p/ddscat/

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Installation and execution 
--------------------------

These are written in C++. To compile them, any recent version of the gcc suite is sufficient. 
They should compile in any UNIX by simply running "make" within the folder of each program. These programs have been tested successfully on Linux (Ubuntu, CentOS) and Apple OS X. 

Once compiled, each program <xxx> can be run directly. An input file with the desired parameters is available. If this file is not available, a template can be automatically be generated by typing:

xxx -n

The parameters are commented in the input file, so their setting should be straightforward. Once the input file is customized, the target file for DDSCAT is produced by:

xxx <name-input-file> 

The output file can be set to be either in the format for DDSCAT or as a regular ASCII file.

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1. RandomSphere
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Generates random spheres on the surface of a larger sphere. Produces realistic models of rough particles for SERS. It generates random:

1. positions of the small spheres on a large sphere
2. diameters of the small spheres.
3. offset of the position of the center of each small sphere from
	the surface of the large one.
4. composition of each small sphere.

Each randomization can be turned on/off.

Two randomization schemes are available, with and without seed, for reproducibility (or not) of the same random sequence.

Starting from version 3.5, compatibility with previous version is broken. A more sophisticated handling of the extended offset (fixed offset or randomized within range) required a new input file. However, older input file can be easily changed to work on the new version.

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2. SlabDDscat
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Generates multiple slabs (the number is selectable). Each slab is generated by a set of adjacent spheres. The thickness is determined by the diameter of the sphere. This method for generating slabs is used so that an actual slab is made of overlapping spheres, which can be then easily processed by DDSCAT under the 'SPH_ANI_N' shape directive, defined in DDSCAT.par.

Additionally a sample sphere is placed on the slab.

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3. RunAvConv
----------------  

From a Paraview csv file, extract and saves in csv a new file with running averages and Gaussian convolution.