求ACID程序

最爱喵星人

求ACID(anisotropy of induced current density)程序。给作者写信没有收到回复。坛主博客里的链接又打不开。

zjxitcc

（1）是AICD，程序名都写错了；（2）这里不是有么http://bbs.keinsci.com/thread-1270-1-1.html

最爱喵星人

谢谢。不过确实是ACID。作者是这么称呼的。确实很反人类。

sobereva

程序名就叫AICD，不是ACID，你看下载下来的程序包里文件名是什么

这是程序包里的内容一部分

Hi, this is the tutorial for using AICD.

You should follow the instructions of INSTALL.TXT first.


Chapter 1
=========
Now, for a quick start of getting a nice picture of a benzene ring with
induced current density vectors of a magnetic field perpendicular to
the ring plotted on the AICD surface, do:

        cd tutorial-data
        g09 benzol.nmr.com
        AICD -m 2 -rot 90 0 0 -b 1 0 0 -runpov benzol.nmr.log

The result can either be viewed in the file benzol.nmr_40000_0.050_1_0_0_Aniso_4.2.png
or, more interactively, by loading benzol.nmr.icd40000.cub into Gaussview.

Chapter 2
=========
Have a look of the online usage instructions and options in AICD. You can print them
with
        AICD --help
and
        AICD --longhelp

chrinide

Anisotropy of the Induced Current Density这个最初的确简化为ACID,参考 CHEMICAL REVIEW上的文章: https://pubs.acs.org/doi/abs/10.1021/cr0300901      可能最初想表达的英文是anisotropy of the current (induced) density (ACID)

sobereva

程序内部一直叫AICD，从1.0到2.0都没变过
只不过作者对这个方法叫ACID（和Chem. Rev. 2005, 105, 3758标题冲突。意思是anisotropy of the current-induced density，见原文J. Phys. Chem. A 2001, 105, 3214），并且也把这个程序在表面上叫ACID