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Author Archives: Dan Gezelter
GARAGe Software
Genetic Algorithms Research and Applications Group (GARAGe) software: a suite of programs that do genetic algorithms. Includes GALOPPS, the “Genetic ALgorithm Optimized for Portability and Parallelism System”; lilgp, a generic ‘C’ genetic programming tool; and daga, an experimental release of … Continue reading
AIPS
Astronomical Image Processing System. This is the classic system used to reduce radio observations. Find AIPS at: http://www.aoc.nrao.edu/aips/
Posted in Astronomy
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IRAF
Posted in Astronomy
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GROMACS
GROMACS is a very fast molecular dynamics code, which comes with lots of features like PME, a variety of cut-offs, non-equilibrium MD and more. The package includes also other algorithms like normal mode analysis and essential dynamics plus a wealth … Continue reading
Posted in Molecular Dynamics
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Scilab
Scilab is a scientific software package for numerical computations in a user-friendly environment. It features: Elaborate data structures (polynomial, rational and string matrices, lists, multivariable linear systems,…). Sophisticated interpreter and programming language with Matlab-like syntax. Hundreds of built-in math functions … Continue reading
Posted in Mathematics
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Tessel
Tessel is a 3D "compiler" to produce crystal and molecular models, parametric surfaces and several forms of sphere tesselations. Molecular models combine balls-and-sticks, arrows and coordination polyhedra representations of pure and defective crystals, finite molecules or clusters. The Madelung potential … Continue reading
Posted in Molecule Viewers and Editors
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KMatPlot
KMatplot is a gnuplot-like tool for plotting data sets in either two or three dimensions. It can plot many types of 2d plots, including pixmaps and contours, and 3d surfaces. It offers a full WYSIWYG mode with multiple objects on … Continue reading
Posted in Tools
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ABINIT
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave … Continue reading
Posted in Ab Initio Quantum Chemistry
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Significant Figures
Libraries for working with scientific numbers in Java programs. Find Significant Figures at: http://ostermiller.org/utils/SignificantFigures.html
JNumeric: Numerical Python for Jython
Provides the functionality for Jython that Numerical Python does for Python (CPython). As the Numerical Python documentation states, it is "…a collection of extension modules to provide high-performance multidimensional numeric arrays to the Python programming language." JNumeric provides the same … Continue reading
Posted in Numerical Methods
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