Paket: atomes (1.1.14-1.1~bpo12+1)

[ Kaynak: 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 ile İlgili Diğer Paketler

• dep: atomes-data (= 1.1.14-1.1~bpo12+1)

  atomic-scale 3D modeling toolbox (data)

• dep: bash-completion

  programmable completion for the bash shell

• dep: libavcodec59 (>= 7:5.0)

  FFmpeg library with de/encoders for audio/video codecs - runtime files

• dep: libavformat59 (>= 7:5.0)

  FFmpeg library with (de)muxers for multimedia containers - runtime files

• dep: libavutil57 (>= 7:5.0)

  FFmpeg library with functions for simplifying programming - runtime files

• dep: libc6 (>= 2.34)

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket 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: libglib2.0-0 (>= 2.37.0)

  GLib library of C routines

• dep: libglu1-mesa

  Mesa OpenGL utility library (GLU)

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libgtk-3-0 (>= 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: libswscale6 (>= 7:5.0)

  FFmpeg library for image scaling and various conversions - runtime files

• dep: libxml2 (>= 2.7.4)

  GNOME XML library

atomes indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
s390x	889,9 kB	3.167,0 kB	[dosya listesi]