Search Results for "mechanics"

Elmer is a finite element software for numerical solution of partial differential equations and multiphysical problems. It includes models of structural mechanics, fluid dynamics, heat transfer, electromagnetics etc. Elmer home is www.csc.fi/elmer

We are proud to introduce version 5 of CAMPARI. 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...

This is a collection of software modifications created to integrate NanoEngineer-1, PACKMOL and MSI2LMP for the purpose of easily creating molecular dynamics cells. NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the...

Abaqus implementation (through UEL subroutine) of the incremental energy/dissipation based arc-length method. Suitable for physically non-linear, geometrically linear solid mechanics problems solved through an implicit solution algorithm. The zip file includes a read-me pdf giving information about how to use the files. The details are presented in the following paper : Author : İ. Özdemir 'An alternative implementation of the incremental energy/dissipation based arc-length control...

... are provided. Quote this code as: A. Shterenlikht, N. A. Alexander, Levenberg-Marquardt vs Powell's dogleg method for Gurson-Tvergaard-Needleman plasticity model, Computer Methods in Applied Mechanics and Engineering 237-240:1-9 (2012). DOI: http://dx.doi.org/10.1016/j.cma.2012.04.018

Molecular Graphics, Molecular Dynamics, Optimization, Quantum chemistry. Molecular model building. Explicit and implicit water models. http://www.biomolecular-modeling.com/Products.html

MDcons is a tool to analyze conserved contacts during Molecular Dynamics (MD) simulations of Protein, Rna, Dna & Ligand based complexes. The input is either a Molecular Dynamics trajectory or a set of snapshots. The input can also be a single snapshot. The outputs are (1) map of most/less frequently conserved contacts during MD (2) a list of most/less frequently conserved contacts during MD.

Educational software for studying quantum mechanics. This is the 3rd incarnation of QUANTX software created for Physics Department of Novosibirsk State University. The first version of this software was used in 1985-1991, and the second one was in use since 1991 till 2011. This 3rd version should be useful for universities of Russia and CIS. Translation into English is underway.

astronx simulates the motion of mass-centres in cartesian space. The mass-centres interact solely through gravity. astronx uses the Bulirsch-Stoer extrapolation algorithm with adaptive stepsize to integrate the newtonian equations of motion.

Renumber Gromacs .top and .gro files after removing atoms (e.g. hydrogens) for input into grompp

SMMP (Simple Molecular Mechanics for Proteins) is a program library for protein simulations with an emphasis on advanced Monte Carlo algorithms. It includes various force fields to calculate the energy of a protein and protein-protein interactions.

An open source interactive computer program for Continuum Mechanics, Image analysis, Signal processing and System Identification. Target usage: Bioengineering application of finite element analysis, boundary element and collocation techniques.

MOPAC7 is a semi-empirical quantum-mechanics code written by James J. P. Stewart and co-workers. The purpose of this project is to maintain MOPAC7 as a stand-alone program as well as a library that provides the functionality of MOPAC7 to other programs.