A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.
Completed task 3 in issue #1: nmr_log_parser.py parses isotropic nics values from gaussian log file. Isotropic NICS values are printed above XX - ZZ values for each ghost atom.
@felixplasser if you're happy with this, I'll merge the branch to main
Completed task 3 in issue #1: nmr_log_parser.py parses isotropic nics values from gaussian log file. Isotropic NICS values are printed above XX - ZZ values for each ghost atom.
@felixplasser if you're happy with this, I'll merge the branch to main