Search Results for "open-shell" - Page 22

The project devoted to develop LADY software. LADY is a abbreviation formed from LAttice DYnamics toolkit. The software is the semi-emperical program which aids to simulate the dynamical property of crystals within a selected potential function.

RubyMoss is a Web - Based Framework written with Ruby on Rails, intended to support all analysis and data processing for Mossbauer Spectroscopy. Written under BSD License.

pyitc is designed for processing and analysing isothermal titration calorimetry experimental data (Microcal instruments).

Radiation detection and measurement education is necessary for a wide variety of people working with radiation. The equipment and laboratory setup needed for delivering this education are expensive and difficult to assemble due to the large variety of the type of experiments that are desirable to cover. For a basic education one needs to have gamma, beta, alpha and neutron sources, at least one detector to detect each type of radiation and other supplemental instrumentation to perform...

LaserFoam performs simulations of laser pulses using an adaptive split step Fourier method to solve the generalized nonlinear Schrödinger equation. It provides a graphical environment to run and visualize the results.

A solver for Lancester-Darmy equation. Not working yet.

This project is for particle accelerator start-to-end simulation. The project contains software infrastructure for setting up model run as service/client mode.

Magneticle is a 3D OpenGL physical simulation that applies the Biot-Savart law to charged particles operating inside a magnetic field produced by a current-carrying wire modeled as an arbitrary space curve.

Header defined, generic C++ Vector and Matrix classes for engineering, scientific, or mathematical needs. A more intuitive, lightweight substitute for the larger linear algebra libraries available.

Quaternions are numbers with 4 parts: one for time, three for space.This project creates command line functions that generate thousands of points of quaternions, for the animation software. Think: analytical animation! See VisualPhysics.org examples.

OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation

NOSE is a package for simulation of linear and non-linear optical and infrared spectra, including absorption, fluorescence, circular dichroism, pump-probe, photon echo and other.

Interactive mesh creation tool. Discretizer will create geometry and meshes for three dimensional flow simulations (CFD). Geometry import is not a goal: Discretizer will be furiously fast geometry builder(on many common engineering applications at least)

Measurement uncertainties with Python.

A reactor solver which uses stochastic particle methods to model particle population balances. This code is developed by the CoMo group in the chemical engineering department at the university of Cambridge (como.cheng.cam.ac.uk).

Software for the evaluation of x-ray holography data.

PARAMESH is a package of Fortran 90 subroutines designed to provide an application developer with an easy route to extend an existing serial code which uses a logically cartesian structured mesh into a parallel code with adaptive mesh refinement(AMR).

This toolkit allows complete control of a microscopy setup from Labview, Matlab, Scilab, Python, .Net, VB, IgorPro, Mathematica and more. Included is a standalone program for image acquisition and scripting control of a scientific microscope.

nPlot (alias nanoplot) aims to be a minimalistic, easy-to-use data analysis application.

Quantum Mechanical Toolkit And 3D Viewer for C++. Allows Data Visualisation via Images, Surfaces and Volume plots using OpenGL, as well as rapid development Quantum Mechanical Simulations. Uses the Blitz++, VTK Visualisation and Qt Libraries.

A Java library that works with Java3D to simulate and visualize, in real-time, dynamics of multiple rigid bodies that are restricted by implicit and explicit constraints (e.g., robotics); designed for efficiency, ease-of-use, and extensibility.

This is a set of tools for simulating fusors/IEC devices in their various forms.

EXTREMA is an interactive program with publication quality graphics and mathematical analysis capabilities. EXTREMA can be GUI and/or command driven. The command language includes conditional branching, looping and subroutine calling constructs.

Sandia National Laboratories’ (SNL) environmental assessment modeling tool helps optimize the design of MHK-turbine array layouts within ocean, tidal, and river systems to balance energy generation efficiency with environmental considerations. The new tool, SNL-EFDC, is an augmented version of US EPA’s Environmental Fluid Dynamics Code (EFDC) and includes; (1) a new module that simulates energy conversion (momentum withdrawal) by MHK turbine-like devices including commensurate changes in the...

BS Eagle Project is an open source black-oil simulator. The goal of this project is to provide a free access to the modern oil simulator to study new methods of simulation. The project has a modular architecture and open to modifications and extensions.