atomes 1.1.14-1.1build1 source package in Ubuntu
Changelog
atomes (1.1.14-1.1build1) oracular; urgency=medium * Rebuild against new libavcodec61. -- Gianfranco Costamagna <email address hidden> Wed, 31 Jul 2024 17:09:28 +0200
Upload details
- Uploaded by:
- Gianfranco Costamagna
- Uploaded to:
- Oracular
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
Series | Published | Component | Section | |
---|---|---|---|---|
Oracular | release | universe | misc |
Downloads
File | Size | SHA-256 Checksum |
---|---|---|
atomes_1.1.14.orig.tar.gz | 3.3 MiB | 2b70e58c2eaffa7026a52aa1bb6b34d541be04734ecb048fa5cd2e8ab4e5545e |
atomes_1.1.14-1.1build1.debian.tar.xz | 14.0 KiB | ed44b6d01943779159b2a7117109695e248a7446fd6a6d59be080a6c51ca3e5c |
atomes_1.1.14-1.1build1.dsc | 2.2 KiB | c28c779bff40fff02118395ded4b98158c62ba789ebafd884595a6cd2ab83e4a |
Available diffs
Binary packages built by this source
- atomes: 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.
- atomes-data: atomic-scale 3D modeling toolbox (data)
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 contains data files for atomes.
- atomes-dbgsym: debug symbols for atomes