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Paket: atomes (1.1.14-1.1 ve diğerleri)

atomes için bağlantılar

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atomic-scale 3D modeling toolbox

Atomes is a tool box to analyze (physico-chemical properties calculations), visualize (atoms, bonds, colormaps, measurements, coordination polyedra ...) create (crystal builder, molecular library, surface creation and passivation ...) 3D atomistic models. Atomes offers a workspace capable of handling many projects opened simultaneously. The different projects in the workspace can exchange data: analysis results, atomic coordinates... Atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: Classical MD: DLPOLY and LAMMPS

 - ab-initio MD: CPMD and CP2K
 - QM-MM MD: CPMD and CP2K
To prepare the input files for these calculations is likely to be the key, and most complicated step towards MD simulations. Atomes offers a user-friendly assistant to help and guide the scientist step by step to achieve this crucial step.

This package provides the binaries.

atomes ile İlgili Diğer Paketler

  • bağımlılıklar
  • tavsiye edilen
  • önerilen
  • enhances

atomes indir

Tüm mevcut mimariler için indir
Mimari Sürüm Paket Boyutu Kurulu Boyut Dosyalar
s390x 1.1.14-1.1+b1 986,9 kB3.244,0 kB [dosya listesi]