DFT++

  • 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: 
3.0
评分: 
3

 Acid MoleculeDFT++: Acid Molecule用于能带计算的密度泛函程序。DFT++从3.0版开始用ANSI标准C++重写,现在已不需要C和FORTRAN编译器,C++就够了。在MS WINDOWS下已经用MS Visual Studio.NET编译通过。同一个程序中可以使用多种基组:平面波或者小波(编译时需要在makefile文件中选择)。

程序已经停止开发。参见后续程序JDFTx。