atomes binary package in Ubuntu Noble ppc64el
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.
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2024-04-05 02:52:58 UTC | Published | Ubuntu Noble ppc64el | release | universe | science | Optional | 1.1.12+repack-2ubuntu2 | ||
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Deleted | Ubuntu Noble ppc64el | proposed | universe | science | Optional | 1.1.12+repack-2ubuntu2 | |||
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2024-04-06 12:10:12 UTC | Deleted | Ubuntu Noble ppc64el | updates | universe | science | Optional | 1.1.12+repack-2 | ||
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2024-04-05 02:55:33 UTC | Superseded | Ubuntu Noble ppc64el | release | universe | science | Optional | 1.1.12+repack-2ubuntu1 | ||
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2024-04-06 12:10:12 UTC | Deleted | Ubuntu Noble ppc64el | proposed | universe | science | Optional | 1.1.12+repack-2ubuntu1 | ||
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2024-03-23 18:48:30 UTC | Superseded | Ubuntu Noble ppc64el | proposed | universe | science | Optional | 1.1.12+repack-2build3 | ||
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2024-03-19 07:07:48 UTC | Superseded | Ubuntu Noble ppc64el | proposed | universe | science | Optional | 1.1.12+repack-2build2 | ||
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2024-03-12 01:35:45 UTC | Superseded | Ubuntu Noble ppc64el | proposed | universe | science | Optional | 1.1.12+repack-2build1 | ||
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2024-03-29 03:56:46 UTC | Superseded | Ubuntu Noble ppc64el | release | universe | science | Optional | 1.1.12+repack-2 | ||
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2024-04-06 12:10:12 UTC | Deleted | Ubuntu Noble ppc64el | proposed | universe | science | Optional | 1.1.12+repack-2 | ||
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