MORPHY98

  • 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: 
98
评分: 
3

MORPHY98MORPHY98

对分子中的原子(AIM)进行拓扑分析,支持GAUSSIAN,CADPAC,和GAMESS等程序产生的波函wfn文件。具有到AIMPAC的接口。MORPHY98支持高斯型spdf基函数和ECP基组(应用参见J. Phys. Chem. A, 114, 5222, 2010)。提供DEMO版下载。96版源代码:http://cpc.cs.qub.ac.uk/summaries/ADCJ_v1_0.html