Search Results for "order"

...Contains three (more or less) finished sub-programs: (a) “hex-ecs” which solves the Schrödinger equation in the B-spline basis, (b) “hex-dwba” which computes scattering variables for high energies using the distorted wave Born approximation of the first order and finally (c) “hex-db” which is a user interface to a plain SQLite database, where the intermediate results are being stored, and which is used to extract derived quantities like a cross section from it. Several more solvers are being developed right now - namely the second order of Born approximation for use in Born subtraction and the intermediate energy regime, and the relativistic variant of ECS for solution of (n,l,j,m,σ) ⟶ (n',l',j',m',σ') transitions.

...The adaptive algorithm based on finite element method (FEM) is implemented. Discretization of the differential eigenvalue problem is done by finite element method with Lobatto polynomials as a basis functions. High order Gauss quadratures are applied in order to obtain the total energy of atom with absolut accuracy of 1E-6 hartree. Disctretization leads to generalized eigenvalue problem, which is solved by procedures from LAPACK libraries. The program is implemented in C++, it runs as a single thread. The implemented algorithm is described in the following papers: 1. ...

...Includes among others * a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data). * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement and its application to ordering in glassy hard sphere colloids. Soft Matter 9, 1447–1457 (2013). https://dx.doi.org/10.1039/C2SM27107A (http://arxiv.org/pdf/1301.7237.pdf)

SIMBUCA (before called Simonion) is a simulation package that simulates the motion of charged particles under the influence of Electric and/or Magnetic fields. What makes Simbuca unique is that you can choose to calculate the Coulomb interaction between ions on a Graphics cards which is much faster than calculating this on the conventional CPU (reducing the simulation time from years to days). Therefore Simbuca has been applied in various projects which required to understand the...

Materials simulation software designed for studying atomic ordering, especially in alloys.

Simonion does not exist anymore; the package name is changed into Simbuca and is updated on the Simbuca webpage: https://sourceforge.net/projects/simbuca/

RHYNO simulates the High-order Harmonic Generation (HHG) process in gases irradiated by an intense Laser.

OpenDiscreteDynamicProgrammingTemplate : founds optimal constrainted parameters of a discrete controls with second order optimization template replacing Hessian with directional derivatives and backpropagation for digital filter(as neural network)