TigerCI

  • 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.
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4

 

低标度的MRSDCI/MRACPF程序。传统MRSDCI是O(N6)标度,而通过局域截断方案和积分屏蔽,可以实现O(N)标度的局域MRSDCI(LMRSDCI)。进一步降低计算量可以通过双电子积分的Cholesky分解(CD)来实现,原子中心CD方法可以把O(N3)标度降到O(N)。

 

TigerCI基于对称群图形方法(SGGA)执行CD-LMRSDCI/CD-LMRACPF计算。程序具有到MOLCAS的接口,GAMESS接口正在实现中。