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Analysis, visualization, edition of 3D atomistic models
atomes is a Free (Open Source) cross-platform software licensed under the terms
of the Affero GPL v3+ license.
atomes is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models.
atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes:
- Classical MD : DL-POLY and LAMMPS
- ab-initio MD : CPMD and CP2K
- QM-MM MD : CPMD and CP2K
atomes is developed by Dr. Sébastien Le...
A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
The Xtal System is a comprehensive suite of small molecule structural solution, refinement and analysis software, supporting both X-ray, neutron and electron diffraction data. It runs on both Unix and MS Win32 platforms and uses tcl/tk graphics.
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The aim of project is creating program environment for solving some integral equations, arising at solving mathematical problems of the diffraction theory.
MRCWA - Multilayer Rigorous Coupled Wave Analysis is a fast, flexible optical grating solver. It calculates an exact solution to the Maxwell equations for the diffraction of light from an optical grating with arbitrary profile and materials.