Search Results for "electrostatic"

This program computes Density Derived Electrostatic and Chemical (DDEC) net atomic charges and atomic multipoles for periodic and nonperiodic systems. These chemically meaningful net atomic charges approximately reproduce the electrostatic potential.

..., microtron, linear and scaling FFAG, multi-pass ERL, etc.) and optical systems (magnetic and electrostatic optical components and beam lines, time-of-flight and mass spectrometers, etc.). It includes built-in fitting procedures, with a wide variety of constraints. It includes synchrotron radiation Poynting vector tracking, synchrotron radiation energy loss, space charge modeling, several Monte Carlo procedures.

Luscus is the program for graphical display and editing of molecular systems. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to point out a geometrical feature or a physical quantity. The program is developed as a graphical...

TABI (treecode-accelerated boundary integral) solves the linear Poisson-Boltzmann equation. The solver employs a well-conditioned boundary integral formulation for the electrostatic potential and its normal derivative on the molecular surface, which is triangulated and the integral equations are discretized by centroid collocation. The linear system is solved by GMRES iteration and the matrix-vector product is carried out by a Cartesian terraced which reduces the cost from O(N^2) to O(N*logN...

... such as molecular bridges or simply metallic atomic contacts as those created with scanning tunneling microscope or break junction techniques. The use of ANT.G may also be naturally extended to the computation of scanning tunneling spectroscopy and the simulation of scanning tunneling and electrostatic force microscopy.

This is an electrostatic field package for GNU Octave. It contains functions that can calculate capacitance matrix of metal blocks, inductance matrix of metal bounds, impedance matrix of metal dipoles (antennas), and so on.

PyParticles is an opensource particles simulation tool box entirely written in python. It support the most popular integrations methods and the most relevant forces model. It also offer a nice looking OpneGL interface or at your preference a Matplotlib based GUI. PyParticles as a forces models implements Gravity, spring, constant force and electrostatic and the user defined vector field force. As a integrations method it includes Euler, Midpoint, Runge Kutta, Störmer Verlet and Leap...

OFF-TARGET PIPELINE is a platform intended to carry out a recently introduced chemical systems biology approach for secondary target identification, but may also be useful to other applications in bioinformatics and drug discovery.

An analytical generalized Born model to calculate electrostatic solvation energy that accurately reproduces the linearized Poisson-Boltzmann equation. More about this method is explained in J. Phys. Chem. B, 111, 3055-3061 (2007).

VecMetaFrame is an electrostatic fields distributed simulator based on PVM, which provides a client-server model, distributed/parallel fields computation and various types of visualizations and simulation features.

fieldEB is an electrostatic and magnetostatic simulator. With fieldEB you can put charges or current on a 2D space. Electrostatic field and magnetostatic can be drawn.

Gnome Field is a Open Source program which can calculate the electrostatic fields and potential of any custom charge or electrode configuration.