View source for Category:Repository of Codes

''(Click on the name of the scale for the background information)''

{|
|-
| width="160" align="center" style="background:#dddddd;"|'''[[Electronic Scale| Electronic scale]]'''
| width="160" align="center" style="background:#dddddd;"|'''[[Nanoscale| Atomic scale (Nanoscale)]]'''
| width="160" align="center" style="background:#dddddd;"|'''[[Microscale| Microscale]]'''
| width="160" align="center" style="background:#dddddd;"|'''[[Mesoscale| Mesoscale]]'''
| width="160" align="center" style="background:#dddddd;"|'''[[Macroscale| Macroscale]]'''
| width="160" align="center" style="background:#dddddd;"|'''[[Structural Scale| Structural scale]]'''
|-
| align="center"|2-10 Å
| align="center"| 1-300 nm
| align="center"|0.1-15 μm
| align="center"|1-10 mm
| align="center"|>10 mm
| align="center"|
|-
| align="center"|[[Density Functional Theory|Density Functional Theory]]
| align="center"|[[Molecular Dynamics|Molecular Dynamics]]
| align="center"|[[Dislocation Dynamics|Dislocation Dynamics]]
| align="center"|[[Crystal Plasticity| Crystal Plasticity]]
| align="center"|[[Internal State Variables | Internal State Variables]]
| align="center"|[[Finite Element Analysis | Finite Element Analysis]]
|-
|}

= Pre-processing Codes =


{|
|+ ''click on the name of the code to go to the code home page''
|-
! align="left"|Name of the Code !! align="left"|Scale !! align="left"|Short Description
|-
|[[Code: Biova Materials Studio|Biova Materials Studio]]
|[[Macroscale|multiscale]]
| Initial structure generator for electronic, atomistic, and molecular simulations .
|-
|[[Code: HYPERMESH|HYPERMESH]]
|[[Macroscale|multiscale]]
|Commercial by HyperWorks: "Altair HyperMesh is a high-performance finite element pre-processor that provides a highly interactive and visual environment to analyze product design performance"
|-
| width="180"|[[MatLAB]]
| width="100"|[[Macroscale|multiscale]]
| General technical computing environment for data analysis, curve fitting, and visualization.
|-
|[[Python]]
|[[Macroscale|multiscale]]
| Simple yet powerful language with additional packages for technical data analysis and visualization.
|-
| [http://avogadro.openmolecules.net/wiki/Main_Page Avogadro] 
|[[Nanoscale|nanoscale]]
| Advanced molecule editor and visualizer
|-
| [http://scripts.iucr.org/cgi-bin/paper?a32599 Edmol] 
| [[Electronic Scale|electronic]]
| A graphical molecular editor. 
|-
| [http://esra.sourceforge.net/cgi-bin/index.cgi esra]
|[[Nanoscale|nanoscale]]
| Lightweight molecular modeling and analysis library (Java/Jython/Mathematica).
|-
| [http://mw.concord.org/modeler/ Molecular Workbench]
|[[Nanoscale|nanoscale]]
| Interactive molecular dynamics simulations on your desktop.
|-
|[http://www.ime.unicamp.br/~martinez/packmol Packmol] 
|[[Nanoscale|nanoscale]]
| Package for building starting configurations for MD in an automated fashion.
|-
| [http://en.wikipedia.org/wiki/Sirius Sirius visualization software] 
|[[Nanoscale|nanoscale]]
| Molecular modeling, analysis and visualization of MD trajectories.
|-
| [[Code: VCSG|VCSG]]
| [[Mesoscale|mesoscale]]
| Virtual Composite Structure Generator code for generating random composite geometry representative volume elements for finite element analysis.
|}

= Processing Codes =

{|
|+ ''click on the name of the code to go to the code home page''
|-
! align="left"|Name of the Code !! align="left"|Scale !! align="left"|Short Description
|-
|[[Code: Biova Materials Studio|Biova Materials Studio]]
|[[Macroscale|multiscale]]
| A complete modeling and simulation environment designed to allow researchers in materials science and chemistry to predict and understand the relationships of a material’s atomic and molecular structure 
|-
|[[Code: MOOSE|MOOSE]]
|[[Macroscale|multiscale]]
| Multiphysics Object-Oriented Simulation Environment 
|-
|[[Code: ABAQUS|ABAQUS]]
|[[Structural Scale|structural]]
| Implicit and Explicit Finite Element Code
|-
|[[Code: COMSOL|COMSOL]]
|[[Structural Scale|structural]]
| Commercial by COMSOL: "The COMSOL Multiphysics simulation software environment facilitates all steps in the modeling process − defining your geometry, meshing, specifying your physics, solving, and then visualizing your results"
|-
|[[Code: LS-DYNA|LS-DYNA]]
|[[Structural Scale|structural]]
| Explicit Finite Element Code used for Dynamic and Shock Problems
|-
|[[Code: NASTRAN|NASTRAN]]
|[[Structural Scale|structural]]
| Commercial by MSC Software: "SC Nastran is the world's most widely used Finite Element Analysis (FEA) solver"
|-
|[[Code: PAM-CRASH|PAM-CRASH]]
|[[Structural Scale|structural]]
| Commercial by ESI Group: "The world's most widely used crash simulation software"
|-
|[[Code: SYSWELD|SYSWELD]]
|[[Structural Scale|structural]]
| Explicit Finite Element Code used for Dynamic and Shock Problems
|-
||[[Code: ABAQUS_FEM|ABAQUS (FEM)]]
| [[Macroscale|macroscale]]
| A suite of software applications for finite element analysis and computer-aided engineering
|-
|[[Code: CALCULIX|CALCULIX]]
|[[Macroscale|macroscale]]
| Open Source Finite Element Code
|-
||[[Code: DMG|DMGfit]]
| [[Macroscale|macroscale]]
| A MATLAB routine used for calibrating the MSU ISV Plasticity-Damage Model
|-
|[[Code: Elmer|Elmer]]
|[[Macroscale|macroscale]]
| Open Source (GPL) multi-physics FEA code written in FORTRAN 90 with a C++/Qt GUI
|-
|[[CodeRepository:MSC|MSC]]
|[[Macroscale|macroscale]]
| Master Sintering Curve
|-
|[[MSF_v2|MSF]]
|[[Macroscale|macroscale]]
| MultiStage Fatigue Model
|-
|[[Code: TAHOE|TAHOE]]
|[[Macroscale|macroscale]]
| Implicit and Explicit Finite Element Code
|-
|[[Code:WARP3D|WARP3D]]
|[[Macroscale|macroscale]]
| Open Source Code for 3D Nonlinear Analysis of Solids
|-
||[[Code: ABAQUS_CPFEM| ABAQUS (CPFEM)]]
| [[Mesoscale|mesoscale]]
| Crystal Plasticity Finite Element Method
|-
||[[CodeRepository:CRYMPS|CRYMMPS]]
| [[Mesoscale|mesoscale]]
| Crystal Material Point Simulator.
|-
||[[CodeRepository:MC|MC]]
| [[Mesoscale|mesoscale]]
| microstructure mapping
|-
||[[Code: VPSC|VPSC]]
| [[Mesoscale|mesoscale]]
| ViscoPlastic Self-Consistent Code
|-
|[[Code: Dislostructures|Dislostructures]]
| [[Microscale|microscale]]
| Simple edge/screw dislocations generator for different different crystal structures
|-
|[[MDDP|MDDP]]
| [[Microscale|microscale]]
|Multiscale Dislocation Dynamics Plasticity (MDDP) is a discrete dislocation dynamics (DD) model for crystalline materials.
|-
|[[Code: microMegas|microMegas]]
| [[Microscale|microscale]]
|serial 3-D Discrete Dislocation Dynamics code with Intel Compiler optimizations  
|-
| [http://en.wikipedia.org/wiki/BOSS BOSS (molecular mechanics)]
|[[Nanoscale|nanoscale]]
| MC in [http://en.wikipedia.org/wiki/OPLS OPLS] 
|-
|[[Code: DYNAMO|DYNAMO]]
| [[Nanoscale|nanoscale]]
|alternative to LAMMPS 
|-
|[[Code: GSF|GSF]]
| [[Nanoscale|nanoscale]]
|Scripts to calculate General Stacking Fault curves for different crystal structures
|-
|[[Code: GTA‎|GTA]]
| [[Nanoscale|nanoscale]]<br>
|Downloadable zip file of Grain Tracking Algorithm
|-
|[[Code: LAMMPS|LAMMPS]]
| [[Nanoscale|nanoscale]]
|Large-scale Atomic/Molecular Massively Parallel Simulator
|-
|[[MPC|MPC]]
| [[Nanoscale|nanoscale]]
|MEAM Parameter Calibration (MPC) is a graphical MATLAB application for interactive editing of MEAM library and parameter files for use with LAMMPS.
|-
|[[Code: WARP|WARP]]
| [[Nanoscale|nanoscale]]
|WARP is a parallel molecular dynamics simulation code for modeling stress and strain in materials using embedded atom method (EAM) and Lennard-Jones (LJ) potentials (An old alternative to LAMMPS).
|-
|[[Code: Poseidon|Poseidon]]
|[[Electronic Scale|electronic]]
|A concurrent multiscale simulation program using molecular dynamic simulation and density functional theory calculation
|-
|[[Code: SIESTA|SIESTA]]
|[[Electronic Scale|electronic]]
|One DFT code that can handle (at least) principally thousands of atoms. Basis functions are atomic orbitals. 
|-
|[[Code: Quantum Espresso|Quantum Espresso]]
|[[Electronic Scale|electronic]]
|A DFT code that used plane wave basis functions. Accuracy and simulation time are set by k points and cutoff energy.
|-
|[[Gsfe curve|GSFE Curve]]
|[[Electronic Scale|electronic]]
|A python script that computes GSFE curves for either FCC or BCC systems using either VASP or Quantum Espresso.
|-
| width="180" |[[Code: VASP|VASP]]
| width="100" |[[Electronic Scale|electronic]]
| VASP is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set.
|}

See also:
* [http://imechanica.org/node/938 Open Source Finite Element packages]

= Post-processing Codes =

{|
|+ ''click on the name of the code to go to the code home page''
|-
! align="left"|Name of the Code !! align="left"|Scale !! align="left"|Short Description
|-
| [http://en.wikipedia.org/wiki/Avizo Avizo_(software)] 
|[[Macroscale|multiscale]]
| 3d visualization and analysis software.
|-
|[[Code: Biova Materials Studio|Biova Materials Studio]]
|[[Macroscale|multiscale]]
| 3d visualization and analysis capabilities.
|-
| [http://www.ensight.com Ensight]
|[[Macroscale|multiscale]]
|
|-
|[[ImageJ]]
|[[Macroscale|multiscale]]
| Image analysis software for structure or data quantification or characterization.
|-
| width="180"|[[MatLAB]]
| width="100"|[[Macroscale|multiscale]]
| General technical computing environment for data analysis, curve fitting, and visualization.
|-
|[[Python]]
|[[Macroscale|multiscale]]
| Simple yet powerful language with additional packages for technical data analysis and visualization.
|-
|[http://www.tecplot.com/ TecPlot]
| [[Macroscale|multiscale]]
| Post processing tool for CFD, FEA, or DD simulations files.
|-
|[[Code: Ternary|Ternary]]
|[[Macroscale|multiscale]] 
| Thermodynamics. Open source ternary thermodynamics calculation and visualization code.
|-
| [[Code: SHPB_Analysis|SHPB Analysis]]
|[[Macroscale|macroscale]]
| Data analysis tool for SHPB testing written in Matlab.
|-
| [[Code: Atomeye|AtomEye]]
|[[Nanoscale|nanoscale]] [[Electronic Scale|electronic scale]]
| 3d visualization and analysis software.
|-
| [https://avogadro.cc/ Avogadro] 
|[[Nanoscale|nanoscale]]
| Advanced molecule editor and visualizer
|-
| [https://en.wikipedia.org/wiki/BOSS_(molecular_mechanics) BOSS (molecular mechanics)]
|[[Nanoscale|nanoscale]]
| MC in [http://en.wikipedia.org/wiki/OPLS OPLS]
|-
| [http://esra.sourceforge.net/cgi-bin/index.cgi esra]
|[[Nanoscale|nanoscale]]
| Lightweight molecular modeling and analysis library (Java/Jython/Mathematica).
|-
| [http://www.pirx.com/iMol/ iMol]
|[[Nanoscale|nanoscale]]
| Molecular visualizer for Mac OS X
|-
| [http://jmol.sourceforge.net/ JMol] 
|[[Nanoscale|nanoscale]]
| An open-source Java viewer for chemical structures in 3D
|-
| [http://mw.concord.org/modeler/ Molecular Workbench]
|[[Nanoscale|nanoscale]]
| Interactive molecular dynamics simulations on your desktop.
|-
|[[Ovito]]
|[[Nanoscale|nanoscale]] [[Electronic Scale|electronic scale]]
| Visualization and analysis tool for atomic level simulations.
|-
|[http://www.ime.unicamp.br/~martinez/packmol Packmol] 
|[[Nanoscale|nanoscale]]
| Package for building starting configurations for MD in an automated fashion.
|-
| [http://sourceforge.net/projects/punto/ Punto] 
|[[Nanoscale|nanoscale]] [[Electronic Scale|electronic scale]]
| Freely available visualisation tool for particle simulations.
|-
| [http://en.wikipedia.org/wiki/PyMol PyMol]
|[[Nanoscale|nanoscale]]
| Molecular Visualization software written in python.
|-
| [http://www.openrasmol.org/ RasMol]
|[[Nanoscale|nanoscale]]
| Molecular Graphics Visualisation Tool
|-
| [http://en.wikipedia.org/wiki/Sirius Sirius visualization software] 
|[[Nanoscale|nanoscale]]
| Molecular modeling, analysis and visualization of MD trajectories.
|-
| [[Code: Ternary Plot|Ternary Plot]]
|[[Macroscale|multiscale]] 
| Visualization tool for solution space of three variables.
|-
| [http://www.ks.uiuc.edu/Research/vmd/ Visual molecular dynamics (VMD)]
|[[Nanoscale|nanoscale]] 
| MD simulation trajectories can be visualized and analyzed.
|-
| [[pyDEM|pyDEM]]
|[[Macroscale|multiscale]]
| Generalized Inductive Design Exploration Method (IDEM) implementation software.
|}


[[Category:Overview]]