[ bookworm-backports ]
[ trixie ]
[ sid ]
[ 原始碼： atomes ]
套件：atomes（1.1.14-1.1 以及其他的）
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 CP2KTo 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.
其他與 atomes 有關的套件
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- dep: atomes-data (= 1.1.14-1.1)
- atomic-scale 3D modeling toolbox (data)
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- dep: bash-completion
- programmable completion for the bash shell
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- dep: libavcodec61 (>= 7:7.0)
- FFmpeg library with de/encoders for audio/video codecs - runtime files
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- dep: libavformat61 (>= 7:7.0)
- FFmpeg library with (de)muxers for multimedia containers - runtime files
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- dep: libavutil59 (>= 7:7.0)
- FFmpeg library with functions for simplifying programming - runtime files
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- dep: libc6 (>= 2.34)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libcairo2 (>= 1.6.0)
- Cairo 2D vector graphics library
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- dep: libepoxy0 (>= 1.0)
- OpenGL function pointer management library
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- dep: libgcc-s1 (>= 4.0)
- GCC 支援函式庫
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- dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)
- GDK Pixbuf library
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- dep: libgfortran5 (>= 10)
- Runtime library for GNU Fortran applications
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- dep: libglib2.0-0t64 (>= 2.38.0)
- GLib library of C routines
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- dep: libglu1-mesa
- Mesa OpenGL utility library (GLU)
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: libgtk-3-0t64 (>= 3.21.5)
- GTK graphical user interface library
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- dep: libpango-1.0-0 (>= 1.22.0)
- Layout and rendering of internationalized text
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- dep: libpangocairo-1.0-0 (>= 1.14.0)
- Layout and rendering of internationalized text
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- dep: libpangoft2-1.0-0 (>= 1.14.0)
- Layout and rendering of internationalized text
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- dep: libswscale8 (>= 7:7.0)
- FFmpeg library for image scaling and various conversions - runtime files
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- dep: libxml2 (>= 2.7.4)
- GNOME XML library