Materials modelling and computer simulation codes: Difference between revisions

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*[[DL_POLY]]: Molecular Simulation Package
*[[DL_POLY]]: Molecular Simulation Package
*[[LAMMPS]]: Molecular Dynamics Simulator
*[[LAMMPS]]: Molecular Dynamics Simulator
*[[DiMol2D]]: Molecular Dynamics Visualization
*[[Molecular Workbench]]: Interactive simulations
*[[VMD]]: Molecular Dynamics Visualization in 3D
*[[XCrysDen]]: Crystalline and molecular structure visualisation
*[[Gaussian]]: Computational Chemistry
*[[Assisted Model Building with Energy Refinement (AMBER)]]
*[[Assisted Model Building with Energy Refinement (AMBER)]]
*[[NAMD]]: Classical MD
*[[NAMD]]: Classical MD
Line 14: Line 9:
*[[CPMD]]: Carr-Parrinello MD
*[[CPMD]]: Carr-Parrinello MD
*[[WIEN2K]]: Electronic structure calculation in solids
*[[WIEN2K]]: Electronic structure calculation in solids
*[[Dalton]]: Computational Chemistry
*[[Gaussian]]: Computational Chemistry
*[[NWCHEM]]: Computational Chemistry
*[[NWCHEM]]: Computational Chemistry
*[[Dalton]]: Computational Chemistry
*[[DiMol2D]]: Molecular Dynamics Visualization
*[[Molecular Workbench]]: Interactive simulations
*[[VMD]]: Molecular Dynamics Visualization in 3D
*[[XCrysDen]]: Crystalline and molecular structure visualisation

Revision as of 10:54, 22 February 2007