Search Results for "theory"

...We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. ...

JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.

A tool for physics/field theory. Allows to a assemble an action integral interactively by drag and drop. Checks whether the action integral is scale invariant. Allows to determine additional marginal interactions. Contains data of dozens of renormalizable field theories.

...Sources are available with binaries to follow soon. News: V2.1 with many improvements released on 07/15/2016. Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.

The Library is for Finite Transforms such as the Number Theoretic Transform (NTT) and Finite Radon Transform (FRT). Current modules include NTTW for NTTs with high resolution (microsecond) timing, basic array and imaging. The transforms are optimised for performance.

FERN is a CUDA program that implements new methods for solving large sets of stiff differential equations using explicit integration methods. For the theory behind the program (due to Mike Guidry), see http://arxiv.org/abs/1112.4778 .

The Lightweight Integrating Multiphysics Environment for coupling codes (LIME) is a small software package for creating multiphysics simulation codes. LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve different parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defined approach (with example templates), and interface requirements to enable the...

DEXA is dedicated to providing post-experiment signal processing of DiffXAS signals. By combining ab initio theory with measured spectra, structural strain parameters may be extracted from the differential signals at an intrinsic, atomic scale.

This software analyzes periodic dielectric gratings using an efficient numerical scheme based on Floquet Bloch theory. The software finds the propagation modes of a multilayer dielectric waveguide structure with periodic corrugations.

KU1K is a set of tools for 4D,5D and 6D compact U(1) lattice gauge theory Monte Carlo simulation using the Skipis-Vantzos algorithm. As the calculations involved, even for the 4D case, are consuming, the project is modular so as to run on the Grid.

toolbox with information and programs for Computer Aided Innovation The scientific background of Skidbladnir is known as the Theory of Inventive Problem Solving; in English abbreviated as TIPS or TRIZ, in German as TRIS.

X-Bc (formerly: xbc) is a graphical user interface to the command line calculator bc. All Inputs and Outputs stays visible for editing and comparing. Functionality: trigonometry, number-theory, exponential funcs, scientific constants, primenumbers ...