Density Functional

TDRSP is a tool package solving the equation of motion of reduced single-electron density matrix in the framework of Hartree-Fock or density functional theory in time domain.

Vibeplot presents a new and attractive way to visualize vibrational analysis from density functional calculations (DFT). It is especially targeted at the chemists. The interface can either be scripted or used interactively with QVibeplot.

The aim of this project is to be a GUI front-end and visualization tools for the Vienna Ab-Initio Simulation Package, also know as VASP. VASP is density functional software which calculates a variety properties of solid state systems.


Platforms: Mac

A state-of-the-art full-potential linearised augmented-planewave (FP-LAPW) code. Designed to be as developer friendly as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.


Platforms: Windows, Mac, Linux

for Lebedev quadratures on the surface of the unit sphere at double precision. **********Relative error is generally expected to be ~2.0E-14 [1]******** Lebedev quadratures are superbly accurate and efficient quadrature rules for approximating integrals of the form $v = iint_{4pi} f(Omega) ud...


Platforms: Matlab

GRKda runs under Windows XP/2000/NT/98/95/Me and assist you in achieving high relevancy cores for your Web Pages in regards to the various search engines by allowing you to analyze and duplicate the Keyword Density "mix" of the top scoring pages... all with just a few easy clicks of the mouse....


Platforms: Windows

Language::Functional is a Perl module which makes Perl slightly more functional. SYNOPSIS use Language::Functional :all; print The first ten primes are: , show(take(10, filter { prime(shift) } integers)), "n"; Perl already contains some functional-like functions, such as map and grep. The...


Platforms: *nix

This scrip represents a tool for turning exception handling into functional alternation. try..except clauses make Python source code often clumsy and impact the readablity. This script presents a simple functional approach to work with exceptions and finalizations - applicable in a majority of...


Platforms: Windows, Mac, *nix, Python, BSD Solaris

The purpose of this module is to provide a dictionary and list type that can aid in relational algebra, functional programming, list-oriented programming, and perhaps even code obfuscation.


Platforms: Windows, Mac, *nix, Python, BSD Solaris

This function calculates the air-density based on the papers:1)'Equation for the Determination of the Density of Moist Air'P.Giacomo, Metrologia 18, 33-40 (1982)2)'Equation for the Determination of the Density of Moist Air'R.S. Davis Metrologia 29, 67-70 (1992)Parameters: t = ambient temperature...


Platforms: Matlab

09 Mar 2008 (Updated 08 Apr 2010)An estimate of probability density function of the given random data with bounded support.


Platforms: Matlab

Implementation of DBA Method for High Density Impulse Noise Removal.


Platforms: Matlab

2 dimenstion Kernel density Estimation with Sheater Jones bandwidth for each variable.Also the Sheater Jones bandwidth selectionmethod will work for the univariate.


Platforms: Matlab

This SEO plugin is automatically generating an overview about the keyword densities of the used keywords and 2-/3-word keyphrases in the pages / posts content. The statistics will be updated in a specific interval while the author is writing the text in edit-post and edit-page dialog. These...


Platforms: PHP

This script reports various SNP density statistics across all markers in a marker mapped spreadsheet.


Platforms: Mac

Discover the relationship between mass, volume and density by weighing and submerging various materials under water. Do objects like aluminum, Styrofoam, and wood float or sink? Can you identify all the mystery objects by weighing them and submerging them underwater to measure their volumes?...


Platforms: Mac

Functional Ear Trainer is an ear training program to learn to recognize notes in the context of a key using a method that really works! Traditional ear training progams typically let you guess scales, chords, and intervals "as is". Functional Ear Trainer is different, the user can select a key...


Platforms: Windows

Bugkilla is a set of java tools for the functional test of J2EE Web Applications.Specification and execution of tests will be automated for web front end and business logic layer. One goal is to integrate with existing frameworks and tools.


Platforms: Windows, Mac, Linux

JsFUnit is a Functional and Unit Testing framework for client-side (in-browser) JavaScript. It be based on jsUnit


Platforms: Windows, Mac, Linux

Functional Programming for Python. Provides a small mixin to provide 1) type constraints for named tuples 2) pre/postcondition typechecking for functions 3) syntactical sugar to make your code look pretty (accomplished through a PEP 302 import hook)


Platforms: Windows, Mac, Linux