Search Results for "open-shell" - Page 2

Acquisition software for electron microscopes. Runs on FEI Tecnai and Titan microscopes and is usable in material and life science applications

PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations) is a self-contained suite of MATLAB codes that can calculate electronic energies, densities, wavefunctions, and band-bending diagrams within a self-consistent Schrödinger-Poisson formalism.

Unix-based preparation and analysis toolbox for Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab using bash scripts, Gromacs tools and Matlab functions. NaRIBaS provides a framework that decouples user input parameter and terminal based command lines. NaRIBaS does not replace a simulation software and specific analysis tools like Gromacs, but it allows iterative repetition of tasks while changing specific input parameter. The toolbox is to be understood as a scripting...

Calculates Shockley-Read-Hall recombination in semiconductors with 2 defect levels in dependence on photo generation rate. The program runs within MATLAB programming environment version 6.5.0 release 13 or newer offering a Graphical User Interface (GUI).

A NEW GUI VERSION WILL BE RELEASED SOON! Thank you for visiting the Physics Calculator, provided by PIezoSystems Inc., please visit their company website at https://piezosystems.org. For other downloads, please visit our github page, https://github.com/PiezoSystems. We hope that you find this program useful and easy to use, for troubleshooting, please email us, contact@piezosystems.org. If any bugs were found, please email us at bugs@piezosystems.org.

This site hosts code investigating the role of spatial heterogeneity in biochemical signaling. Motivated by several biological examples, we study the behavior of covalent modification networks when the activating component is localized to a planar membrane in either a random or clustered configuration. Reactions and diffusion are implemented on a three-dimensional lattice.

<Temporarily Unavailable Online> This project is aiming at completing a library of open codes (mainly based on MATLAB at present) to deal with Dipoles-Cavity Interaction problems. Common methods, including Green's function method and Master Equation method et al, will be applied to the coding. Samples of calculations and standard comparison with publications using the library will be given for demonstration of the usage.

Simulate the optical reflectance from an infinite turbid medium under an ideal oblique incidence optical source. Two versions are implemented: CPU and GPU. They both generate statistically the same results but GPU version works much faster.

OpenPIV is an initiative of scientists to develop a software, algorithms and methods for the state-of-the-art experimental tool of Particle Image Velocimetry (PIV) which are free, open source, and easy to operate.

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.

SpecMark (spectral Markov) is a method for calculating the joint probability distribution over species in a regulatory network.

A Matlab code to characterize and analyze Gafchromic film for radiotherapy applications. Single or dual color analysis (respectively for EBT or EBT2 film types). Accurate uncertainty estimations. Requirements: Matlab (min. ver. 2007a), Image toolbox.

Optical ray tracing library based on MATLAB environment Now working on the simple raytracing simulation. Documents are not ready yet. NEW UPDATE : ray generation function, other bug fix and multiple ray treatment

HOT is a package of Matlab and Octave compatible functions that manage thermodynamic data for a wide range of species. Functions calculate almost all the most common thermodynamic quantities of mixtures. Python users may also want to look at PYroMat at https://chmarti1.github.io/PYroMat/index.html

Software for simulating the flight path of high power rockets in six-degree-of-freedom. This software runs with Octave or Matlab and can simulate a wide range of scenarios including parachute recovery and multiple stage flights.

A suite of programs for performing particle image velocimetry, a common technique in the field of fluid mechanics. The suite includes programs to perform cross-correlation, synthetic image generation, as well as graphical visualization.

Herramientas informáticas para auxiliar en el proceso de identificación de parámetros dinámicos en sistemas estructurales. Desde el pre procesamiento hasta la elección y ratificación de modos.

Code no longer maintained here, but now transferred to GitHub: https://github.com/peterlu

A collection of different methods for implementing in C++ polycrystalline growth for metals during annealing or recrystallization.

Excited Energy Levels and Various Shapes (EELViS) was developed for calculation of the Extended Tao-Eldrup model results. The relation between potential well dimensions and positronium (Ps) lifetime can be calculated using this code.

Software for clustering networks as described in "Information-theoretic approach to network modularity" (Phys. Rev. E 71, 046117 (2005); http://link.aps.org/abstract/PRE/v71/e046117).

Follow us on www.openpiv.net and Github: http://github.com/openpiv

software for identifying modules in networks (e.g. "community detection"), as described in "a bayesian approach to network modularity" (physical review letters 100, 258701 (2008); http://link.aps.org/abstract/PRL/v100/e258701).

The dwi-toolbox provides a set of free and open-source Matlab routines for the simulation and analysis of Diffusion-Weighted Magnetic Resonance Imaging data. It includes data-fitting, simulation, visualization and statistical components.

MATLAB driver routines for the thermoluminescence apparatus using PT100 resistors as the heating and sensing elements described in the Review of Scientific Instruments v78, 083905 (2007). [DOI: 10.1063/1.2776972]