GAMGI (General Atomistic Modelling Graphic Interface) 是一个程序,用来建立、查看和分析原子strucures如分子,晶体,玻璃,液体等,主要目的是:科学界工作的原子模型,需要一 个图形界面建立输入数据和查看和分析输出数据,计算从头计算和分子力学程序; ,科学界在大学习化学,物理,材料科学,地质,等等,这需要一个图形界面来查看和分析原子结构信息,并编写图片介绍班和研讨会;化学和物理教学在中学和大 学;科学促进学校,展览和科学博物馆。
GAMGI 0.16.2 改进记录:
All Hydrogen based orbitals from 1s to 6h are now working fine in GAMGI, as clouds of dots above a given density.
Default values for threshold density, number of points, and sampling radius were extensively studied for all orbitals to guarantee scientific correctness and optimal visual representations.
Solid representations of these orbitals and complex charge descriptions of molecules and crystals, obtained from ab-initio calculations done with other computer packages, are planned to go next
主页:http://www.gamgi.org/
下载:http://www.gamgi.org/src/download.html
来自:开源中国社区

