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[ Source: atomes  ]

Package: atomes (1.1.14-1.1 and others)

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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 atomes

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha (unofficial port) 1.1.14-1.1+b1 898.2 kB3,109.0 kB [list of files]
amd64 1.1.14-1.1+b1 952.2 kB2,977.0 kB [list of files]
arm64 1.1.14-1.1+b1 872.0 kB2,981.0 kB [list of files]
armel 1.1.14-1.1+b1 848.1 kB2,743.0 kB [list of files]
armhf 1.1.14-1.1+b1 843.0 kB2,183.0 kB [list of files]
hppa (unofficial port) 1.1.14-1.1+b1 854.2 kB2,662.0 kB [list of files]
i386 1.1.14-1.1+b1 973.1 kB3,130.0 kB [list of files]
ia64 (unofficial port) 1.1.12+repack-1 1,154.7 kB5,267.0 kB [list of files]
m68k (unofficial port) 1.1.14-1.1+b1 832.5 kB2,752.0 kB [list of files]
mips64el 1.1.14-1.1+b1 867.0 kB3,276.0 kB [list of files]
ppc64 (unofficial port) 1.1.14-1.1+b1 984.1 kB3,620.0 kB [list of files]
ppc64el 1.1.14-1.1+b1 991.5 kB3,493.0 kB [list of files]
riscv64 1.1.14-1.1+b1 954.0 kB2,670.0 kB [list of files]
s390x 1.1.14-1.1+b1 986.9 kB3,244.0 kB [list of files]
sh4 (unofficial port) 1.1.14-1.1+b1 1,070.8 kB2,621.0 kB [list of files]
sparc64 (unofficial port) 1.1.14-1.1+b1 809.9 kB3,315.0 kB [list of files]
x32 (unofficial port) 1.1.14-1.1+b1 947.2 kB2,782.0 kB [list of files]