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[ Source: atomes  ]

Package: atomes (1.2.0-1 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) 1.2.0-1 944.2 kB3,309.0 kB [list of files]
amd64 1.2.0-1 1,055.2 kB3,301.0 kB [list of files]
arm64 1.2.0-1 926.5 kB3,311.0 kB [list of files]
armel 1.2.0-1 891.6 kB2,945.0 kB [list of files]
armhf 1.2.0-1 887.1 kB2,369.0 kB [list of files]
hppa (unofficial port) 1.2.0-1 900.7 kB2,777.0 kB [list of files]
i386 1.2.0-1 1,020.1 kB3,276.0 kB [list of files]
ia64 (unofficial port) 1.1.12+repack-1 1,154.7 kB5,267.0 kB [list of files]
loong64 (unofficial port) 1.2.0-1 952.6 kB3,308.0 kB [list of files]
m68k (unofficial port) 1.2.0-1 892.9 kB2,934.0 kB [list of files]
mips64el 1.2.0-1 935.4 kB3,484.0 kB [list of files]
ppc64 (unofficial port) 1.2.0-1 1,036.4 kB3,886.0 kB [list of files]
ppc64el 1.2.0-1 1,048.6 kB3,695.0 kB [list of files]
riscv64 1.2.0-1 1,000.6 kB2,783.0 kB [list of files]
s390x 1.2.0-1 1,030.2 kB3,386.0 kB [list of files]
sh4 (unofficial port) 1.2.0-1 1,144.5 kB2,819.0 kB [list of files]
sparc64 (unofficial port) 1.2.0-1 849.3 kB4,349.0 kB [list of files]
x32 (unofficial port) 1.2.0-1 990.9 kB2,896.0 kB [list of files]