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[ Source: atomes  ]

Package: atomes (1.1.14-1.1~bpo12+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 959.1 kB2,964.0 kB [list of files]
arm64 869.3 kB2,980.0 kB [list of files]
armel 847.3 kB2,726.0 kB [list of files]
armhf 846.2 kB2,170.0 kB [list of files]
i386 977.2 kB3,145.0 kB [list of files]
mips64el 872.3 kB3,340.0 kB [list of files]
mipsel 890.1 kB3,220.0 kB [list of files]
ppc64el 1,000.0 kB3,492.0 kB [list of files]
s390x 889.9 kB3,167.0 kB [list of files]