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A list of all pages that have property "Description" with value "density-functional theory code". Since there have been only a few results, also nearby values are displayed.

Showing below up to 26 results starting with #1.

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List of results

  • Charmm  + (atomistic and molecular simulations code)
  • CP2K  + (atomistic and molecular simulations code)
  • Cyana  + (biological macromolecule structure calculation based on NMR conformational constraints)
  • Akka  + (capability cluster resource of 54 TFLOPS with infiniband interconnect)
  • Neolith  + (capability cluster resource of 60 TFLOPS with full bisection infiniband interconnect)
  • Abisko  + (capability resource of 153 TFLOPS with full bisectional infiniband interconnect)
  • LAMMPS  + (classical molecular dynamics code)
  • NCAR diagnostic packages  + (climate model diagnostics)
  • Matter  + (cluster resource of 37 TFLOPS dedicated to materials science)
  • Kalkyl  + (cluster resource of about 21 TFLOPS)
  • Grad  + (cluster resource primarily used for SweGrid)
  • Category:Grid computing  + (combines computers from multiple administrative domains)
  • DIANA  + (commercial FEM package)
  • STAR-CD  + (commercial computational fluid dynamics package)
  • Fire  + (commercial computational fluid dynamics package)
  • Fluent  + (commercial computational fluid dynamics package)
  • StarCCM  + (commercial computational fluid dynamics package)
  • PowerFLOW  + (commercial computational fluid dynamics package)
  • GNU compiler collection  + (compiler collection for a number of languages including C, C++ and Fortran)
  • PathScale  + (compiler suite)
  • PGI  + (compiler suite)
  • Intel compiler suite  + (compilers for C, C++ and Fortran)
  • Mathematica  + (computational software for technical computing)
  • CDO  + (data analysis)
  • NCO  + (data analysis)
  • CS-Rosetta  + (de novo protein structure generation)
  • ABINIT  + (density-functional theory code)
  • OpenMX  + (density-functional theory code)
  • SIESTA  + (density-functional theory code for very large systems)
  • Ccp4  + (determining macromolecular structures by X-ray crystallography)
  • MOLDEN  + (display ab initio molecular densities)
  • Ruby  + (dynamic, reflective, general-purpose object-oriented programming language)
  • MKL  + (efficient mathematics library)
  • ACML  + (efficient mathematics library)
  • CASTEP  + (electronic structure calculation)
  • VASP  + (electronic structure calculation)
  • Greens  + (electronic structure codes based on the KKRASA Green's function technique)
  • Muscle  + (fast, high-quality multiple sequence alignment)
  • Meep  + (finite-difference time-domain simulation software package)
  • Abaqus  + (finite-element package)
  • ASE  + (framework for setting up and analyzing atomistic simulations)
  • OpenFOAM  + (free, open source CFD software package by OpenCFD Ltd)
  • Exciting-code  + (full-potential all-electron density-functional-theory (DFT) package based on the linearized augmented plane-wave (LAPW) method)
  • EC-Earth  + (global climate model)
  • CESM1  + (global climate model)
  • NorESM  + (global climate model)
  • SAM  + (hidden Markov model analysis of biological sequences)
  • Category:Performance optimisation  + (improving the computational efficiency of an application)
  • Category:Bioinformatics  + (information handling in biology)
  • Shake n bake  + (is a computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining crystal structures from X-ray diffraction data.)
  • Hkl2map  + (is a graphical user-interface for macromolecular phasing)
  • Pymol  + (is a molecular visualization system.)