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[ Quellcode: atomes  ]

Paket: atomes (1.2.0-1)

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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 für alle verfügbaren Architekturen
Architektur Paketgröße Größe (installiert) Dateien
amd64 1.055,2 kB3.301,0 kB [Liste der Dateien]
arm64 926,5 kB3.311,0 kB [Liste der Dateien]
armhf 887,1 kB2.369,0 kB [Liste der Dateien]
i386 1.020,1 kB3.276,0 kB [Liste der Dateien]
ppc64el 1.048,6 kB3.695,0 kB [Liste der Dateien]
riscv64 1.000,6 kB2.783,0 kB [Liste der Dateien]
s390x 1.030,2 kB3.386,0 kB [Liste der Dateien]