DensToolKit

  • 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: 
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最新版本: 
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评分: 
3

 简介
开源的电子密度分析程序包。程序已实现并行化。

功能
支持的波函文件有wfn和wfx格式。可以分析电子密度,电子密度的梯度,电子局域函数(ELF),ELF梯度,局域轨道定位(LOL),慢电子区(RoSE),约化密度梯度,局域化电子探测(LED),信息熵,分子静电势,动能密度K和G,等等。