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[ Source: atomes  ]

Package: atomes (1.1.14-1.1)

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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.

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Download for all available architectures
Architecture Package Size Installed Size Files
amd64 945.3 kB2,940.0 kB [list of files]
arm64 861.3 kB2,980.0 kB [list of files]
armel 843.7 kB2,734.0 kB [list of files]
armhf 838.6 kB2,178.0 kB [list of files]
i386 965.0 kB3,101.0 kB [list of files]
mips64el 861.4 kB3,275.0 kB [list of files]
ppc64el 986.3 kB3,428.0 kB [list of files]
s390x 981.7 kB3,239.0 kB [list of files]