全部搜索项
stretch  ] [  buster  ] [  sid  ]
[ 源代码: ghemical  ]

软件包:ghemical(3.0.0-4)

ghemical 的相关链接

Screenshot

Debian 的资源:

下载源码包 ghemical

维护小组:

外部的资源:

相似软件包:

GNOME molecular modelling environment

Ghemical is a computational chemistry software package written in C++. It has a graphical user interface and it supports both quantum- mechanics (semi-empirical) models and molecular mechanics models. Geometry optimization, molecular dynamics and a large set of visualization tools using OpenGL are currently available.

Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package (Public Domain), and are included in the package. The MPQC package is used to provide ab initio methods: the methods based on Hartree-Fock theory are currently supported with basis sets ranging from STO-3G to 6-31G**.

标签: 领域: 化学, 实做语言: C++, 用户接口: interface::3d, interface::graphical, X 窗口系统, 角色: 程序, 应用程序集: suite::gnome, uitoolkit::gtk, Purpose: 编辑, 学习, use::viewing, works-with::3dmodel, X 窗口系统: 应用程序

其他与 ghemical 有关的软件包

  • 依赖
  • 推荐
  • 建议
  • 增强

下载 ghemical

下载可用于所有硬件架构的
硬件架构 软件包大小 安装后大小 文件
armhf 1,742.6 kB2,538.0 kB [文件列表]