Skip to content

Latest commit

 

History

History
5 lines (4 loc) · 492 Bytes

README.md

File metadata and controls

5 lines (4 loc) · 492 Bytes

NBO

The main parser that is packaged in the lib folder. It will provide you interactive parsers for nbo calculation log files that come from Gaussian 16 using Density Function Thoery. It can be easily intergrated in your code for easy access important feature such as NBO, NAO, CMO, etc.

PM7

A seperate parser project that is in pm7 folder. It has parser developed specifically for retrieving NBO features from output log files that come from Gaussian 16 using PM7 Semiempirical Method.