Browsing Code Catalog by Title

Now showing items 39-58 of 72

    • FHI-aims 

      Fritz-Haber-Institut der Max-Planck-Gesellschaft
      "FHI-aims is an accurate all-electron, full-potential electronic structure code package for computational materials science, offering: Density functional theory (LDA, GGAs) for isolated molecules and periodic systems ...

    • fhi98PP 

      Martin Fuchs; Evgeni Penev
      "The package fhi98PP [1] in the present update of 27-06-03 allows one to: Generate norm-conserving pseudopotentials of the Hammann [2] and Troullier-Martins [3] types, employing common parameterizations of the local-density ...

    • FiPy: A Finite Volume PDE Solver Using Python 

      NIST MML; Warren, James A.; Wheeler, Daniel; Guyer, Jonathan
      The FiPy framework includes terms for transient diffusion, convection and standard sources, enabling the solution of arbitrary combinations of coupled elliptic, hyperbolic and parabolic PDEs. Currently implemented models ...

    • FLEUR 

      Stefan Blugel
      "This is the homepage of FLEUR, a feature-full, freely available FLAPW (full potential linearized augmented planewave) code, based on density-functional theory. The FLAPW-Method (Full Potential Linearized Augmented Plane ...

    • Flow-3D 

      Flow Science Inc.
      FLOW-3D is a powerful and highly-accurate CFD software that facilitates the simulation and analysis of many physical flow processes.

    • FORGE NxT 

      Transvalor
      This software can simulate hot, warm, and cold forging of both 3D parts and 2D geometry parts, using different process settings and/or different die designs. Accurate predictions are then made for the dies (wear, damage, ...

    • FPLO 

      Klaus Koepernik K.Koepernik@ifw-dresden.de
      "The FPLO package is a full-potential local-orbital minimum-basis code [1] [2] to solve the Kohn-Sham equations on a regular lattice [6]. The situation of a chemically disordered structure is covered by a CPA solver [3], ...

    • 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 ...