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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) 1.1.14-1.1 897.0 kB3,108.0 kB [list of files]
amd64 1.1.14-1.1 945.3 kB2,940.0 kB [list of files]
arm64 1.1.14-1.1 861.3 kB2,980.0 kB [list of files]
armel 1.1.14-1.1 843.7 kB2,734.0 kB [list of files]
armhf 1.1.14-1.1 838.6 kB2,178.0 kB [list of files]
hppa (unofficial port) 1.1.14-1.1 851.4 kB2,665.0 kB [list of files]
i386 1.1.14-1.1 965.0 kB3,101.0 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) 1.1.14-1.1 832.5 kB2,751.0 kB [list of files]
mips64el 1.1.14-1.1 861.4 kB3,275.0 kB [list of files]
ppc64 (unofficial port) 1.1.14-1.1 977.2 kB3,619.0 kB [list of files]
ppc64el 1.1.14-1.1 986.3 kB3,428.0 kB [list of files]
riscv64 1.1.14-1.1 949.2 kB2,665.0 kB [list of files]
s390x 1.1.14-1.1 981.7 kB3,239.0 kB [list of files]
sh4 (unofficial port) 1.1.14-1.1 1,064.9 kB2,620.0 kB [list of files]
sparc64 (unofficial port) 1.1.14-1.1 806.6 kB3,314.0 kB [list of files]
x32 (unofficial port) 1.1.14-1.1 938.1 kB2,753.0 kB [list of files]