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Pakket: atomes (1.1.17-1)

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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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Pakket downloaden voor alle beschikbare platforms
Platform Pakketgrootte Geïnstalleerde grootte Bestanden
amd64 957,8 kB3.013,0 kB [overzicht]
arm64 880,0 kB3.053,0 kB [overzicht]
armel 854,2 kB2.880,0 kB [overzicht]
armhf 849,4 kB2.304,0 kB [overzicht]
i386 977,4 kB3.155,0 kB [overzicht]
ppc64el 998,2 kB3.565,0 kB [overzicht]
riscv64 960,6 kB2.706,0 kB [overzicht]
s390x 996,1 kB3.280,0 kB [overzicht]