DGrid

  • 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.
作者或出品公司: 
不详
最新版本: 
4.6
评分: 
3

DGrid程序用于在等距离格点上产生特性值,并进行特性分析,包括电子局域函数(ELF),能量密度,等。支持的量子化学程序输出格式有:ADF(TAPE21),GAMESS(输出文件,WFN文件),Gaussian(格式化的检查点文件,WFN文件),MOLCAS(molden),MOLPRO(molden),Turbomole(molden),Elk(输出文件)。