все параметры
bookworm-backports  ] [  trixie  ] [  sid  ]
[ Источник: atomes  ]

Пакет: atomes (1.1.14-1.1 и другие)

Ссылки для atomes

Screenshot

Ресурсы Debian:

Исходный код atomes:

Сопровождающие:

Внешние ресурсы:

Подобные пакеты:

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.

Другие пакеты, относящиеся к atomes

  • зависимости
  • рекомендации
  • предложения
  • enhances

Загрузка atomes

Загрузить для всех доступных архитектур
Архитектура Версия Размер пакета В установленном виде Файлы
i386 1.1.14-1.1+b1 973,1 Кб3 130,0 Кб [список файлов]