Browsing Code Catalog by Title

Now showing items 46-65 of 72

    • GAMESS 

      Mark Gordon; Gordon Research Group Ames Laboratory/Iowa State University
      "GAMESS is a program for ab initio molecular quantum chemistry. Briefly, GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. Correlation corrections to these SCF wavefunctions include Configuration ...

    • GAMESS-UK 

      CFS Ltd.
      "GAMESS-UK is the general purpose ab initio molecular electronic structure program for performing SCF-, DFT- and MCSCF-gradient calculations, together with a variety of techniques for post Hartree Fock calculations. More ...

    • Gaussian 

      Gaussian Inc.
      "Gaussian 09 is the latest version of the Gaussian® series of electronic structure programs, used by chemists, chemical engineers, biochemists, physicists and other scientists worldwide. Starting from the fundamental laws ...

    • General Stacking Fault (GSF) 

      Sebastein Groh
      Scripts to calculate General Stacking Fault curves for different crystal structures. Research version is only available to CAVS researchers.

    • HYPERMESH 

      Altair
      Altair HyperMesh is a high-performance finite element pre-processor to prepare even the largest models, starting from import of CAD geometry to exporting an analysis run for various disciplines. HyperMesh enables engineers ...

    • iPython 

      Unknown author
      IPython is a notebook-based interface to interactive computing, including powerful shells, a browser-based notebook interface with support for code, rich text, mathematical expressions, inline plots, and other rich media, ...

    • LAMMPS Molecular Dynamics Simulator 

      Steve Plimpton, sjplimp@sandia.gov; Aidan Thompson, athomps@sandia.gov; Paul Crozier, pscrozi@sandia.gov; Axel Kohlmeyer, akohlmey@gmail.com; http://lammps.sandia.gov/authors.html
      LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter ...

    • LS-DYNA 

      Livermore Software Technology Corporation (LSTC)
      LS-DYNA is a general-purpose finite element program capable of simulating complex real world problems. It is used by the automobile, aerospace, construction, military, manufacturing, and bioengineering industries. LS-DYNA ...

    • microMegas (mM) 

      CNRS-ONERA, France
      MicroMegas is a 3-D DDD (Discrete Dislocation Dynamics) simulation. MicroMegas (also known as 'mM') is an open source program for DD (Dislocation Dynamics) simulations originally developed at the 'Laboratoire d'Etude des ...

    • MSC Nastran 

      MSC Software Corporation
      MSC Nastran is a multidisciplinary structural analysis application used by engineers to perform static, dynamic, and thermal analysis across the linear and nonlinear domains, complemented with automated structural optimization ...

    • MSU ISV Plasticity-Damage Model 

      M. Horstemeyer; R. Carino; Y. Hammi; K. Solanki
      "The Mississippi State University Internal State Variable (ISV) plasticity-damage model (DMG) production version 1.0 is being released along with its model calibration tool (DMGfit). The model equations and material model ...

    • MTEX: A MATLAB Toolbox for Quantitative Texture Analysis 

      Ralf Hielscher
      MTEX is a MATLAB toolbox that allows to solve a wide range of problems in quantitative texture analysis. This includes: crystal geometry, ODF modeling, textrue calculations, pole figure diffraction data, pole fiture to ODF ...

    • Multiphysics Object-Oriented Simulation Environment (MOOSE) 

      David Andrs; John Peterson; Derek Gaston; Cody Permann; Jason Miller (Idaho National Lab)
      The Multiphysics Object-Oriented Simulation Environment (MOOSE) is a finite-element, multiphysics framework primarily developed by Idaho National Laboratory. It provides a high-level interface to some of the most sophisticated ...

    • OOF: Finite Element Analysis of Microstructures 

      NIST ITL
      OOF is designed to help materials scientists calculate macroscopic properties from images of real or simulated microstructures. It reads an image, assigns material properties to features in the image, and conducts virtual ...

    • PAM-CRASH 

      Pam-Crash is a software package from ESI Group used for crash simulation and the design of occupant safety systems, primarily in the automotive industry. The software enables automotive engineers to simulate the performance ...

    • Poseidon 

      Sungho Kim
      A concurrent multi-scale simulation program using molecular dynamic simulation and density functional theory calculation. Research version is available to CAVS (Mississippi State University) researchers only.

    • SciPy 

      Unknown author
      SciPy is a Python-based ecosystem of open-source software for mathematics, science, and engineering. Core packages include NumPy for arrays, the SciPy core scientific libraries, the MatPlotLib 2D visualization tool, the ...

    • SIESTA 

      Emilio Artacho; Jose M. Cela; Julian Gale; Alberto Garcia; Javier Junquera; Richard M. Martin; Pablo Ordejon; Daniel Sanchez-Portal; Jose M. Soler
       One DFT code that can handle (at least) principally thousands of atoms. Basis functions are atomic orbitals. / SIESTA is both a method and its computer program implementation, to perform efficient electronic structure ...

    • SYSWELD 

      ESI Group
      Explicit Finite Element Code used for Dynamic and Shock Problems.

    • Tahoe 

      Tahoe is a research-oriented platform for the development of numerical methods and material models. The goal of the work surrounding Tahoe is the simulation of stresses and deformations for situations that cannot be treated ...