Lindqvist -- a blog about Linux and Science. Mostly.

Lindqvist - a blog about Linux and Science. Mostly.

Pages

▼
Showing posts with label neda. Show all posts
Showing posts with label neda. Show all posts
15 June 2018

652. N/EDA in GAMESS. 4. Running NEDA

›
Posts 1 , 2 and 3 . For this you will need to have linked gamess and nbo . Here's an example input that works: andy@carbon:~$ les...

649. N/EDA in GAMESS. 1. Recompiling GAMESS US with NBO6

›
I need to do energy decomposition analysis (EDA), but only have licenses for Gaussian and NBO6 (i.e. not ADF, turbomole, QChem etc.). NEDA i...
›
Home
View web version

Contributors

  • El Súper
  • lindqvist
Powered by Blogger.