SWizard

  • strict warning: Non-static method view::load() should not be called statically in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/views.module on line 906.
  • strict warning: Declaration of views_handler_argument::init() should be compatible with views_handler::init(&$view, $options) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/handlers/views_handler_argument.inc on line 744.
  • strict warning: Declaration of views_plugin_row::options_validate() should be compatible with views_plugin::options_validate(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
  • strict warning: Declaration of views_plugin_row::options_submit() should be compatible with views_plugin::options_submit(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
最新版本: 
4.5
评分: 
3

简介  
进行光谱数据(紫外-可见,IR,拉曼)后期加工的程序。停止开发,相关功能已经移入到AOMix中。

功能  
产生的数据可以输入到Excel,JPlot,KaleidaGraph,Origin,Quattro Pro,SigmaPlot或其它类似程序中,绘制光谱图。
SWizard可以读取的量子化学输出文件有:ADF 200x的TD-DFT计算(紫外-可见),CNDO/INDO (紫外-可见),Gaussian 98/03 (紫外-可见,IR,拉曼),HyperChem 4.x-7.x (紫外-可见),ZINDO (紫外-可见),ASCII码的自由格式文件(紫外-可见,IR,拉曼)。