Pacote: atomes (1.1.17-1)

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Pagina principal [atomes.ipcms.fr]

Pacotes similares:

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.

Outros pacotes relacionados a atomes

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dep: atomes-data (= 1.1.17-1)

atomic-scale 3D modeling toolbox (data)
dep: bash-completion

programmable completion for the bash shell
dep: libavcodec61 (>= 7:7.0)

FFmpeg library with de/encoders for audio/video codecs - runtime files
dep: libavformat61 (>= 7:7.0)

FFmpeg library with (de)muxers for multimedia containers - runtime files
dep: libavutil59 (>= 7:7.0)

FFmpeg library with functions for simplifying programming - runtime files
dep: libc6 (>= 2.38)

GNU C Library: Shared libraries
também um pacote virtual fornecido por libc6-udeb
dep: libcairo2 (>= 1.6.0)

Cairo 2D vector graphics library
dep: libepoxy0 (>= 1.0)

OpenGL function pointer management library
dep: libgcc-s1 (>= 4.0)

GCC support library
dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)

GDK Pixbuf library
dep: libgfortran5 (>= 10)

Runtime library for GNU Fortran applications
dep: libglib2.0-0t64 (>= 2.40.0)

GLib library of C routines
dep: libglu1-mesa

Mesa OpenGL utility library (GLU)
dep: libgomp1 (>= 4.9)

GCC OpenMP (GOMP) support library
dep: libgtk-3-0t64 (>= 3.21.5)

GTK graphical user interface library
dep: libpango-1.0-0 (>= 1.22.0)

Layout and rendering of internationalized text
dep: libpangocairo-1.0-0 (>= 1.14.0)

Layout and rendering of internationalized text
dep: libpangoft2-1.0-0 (>= 1.14.0)

Layout and rendering of internationalized text
dep: libswscale8 (>= 7:7.0)

FFmpeg library for image scaling and various conversions - runtime files
dep: libxml2 (>= 2.7.4)

GNOME XML library

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Arquitetura	Tamanho do pacote	Tamanho instalado	Arquivos
amd64	957.8 kB	3,013.0 kB	[lista de arquivos]
arm64	880.0 kB	3,053.0 kB	[lista de arquivos]