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DIANNA (Diffraction Analysis of Nanopowders) is a free software developed to simulate atomic models of structures from an ensemble of nanoparticles and to calculate their whole X-ray powder diffraction patterns and the radial distribution function. The main objects of investigation are the particles whose coherent scattering domains do not exceed several nm. DIANNA is based on the ab initio method using the Debye scattering equation. This method makes it possible to obtain information on the atomic structure, shape and size of nanoparticles. It can be applied also to non-periodic materials or coherently ordered structures.
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solves nonlinear Kohn-Sham equation for the neutral atom.
...Romanowski, "Adaptive solver of a Kohn-Sham equation for an atom", Modelling Simul. Mater. Sci. Eng. vol. 17, 045001 (2009)
2. Z. Romanowski, "Application of h-adaptive, high order finite element method to solve radial Schrödinger equation", Molecular Physics, vol. 107, pp. 1339-1348 (2009).
Further questions: romz@wp.pl
eANN is an implementation of several kind of neural networks.
eANN is an implementation of several kind of neural networks written with the intention of providing a (hopefully) easy to use, and easy to modify, OOP source code.
It is possible to have several different sized networks running simultaneously, each functioning independently of the others or acting as inputs between them. It also easy to modify the structure so that neurons (or even whole layers) can be created/pruned during simulation allowing dynamic expansion/contraction of the network.
Neural Network class library: Its a C/C++ implementation that provides following three neural architecture - Feed-forward network, RadialBasisfunction network, multi-layer perceptron and Self-Organizing Maps.
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