Script to parse a scan output file and generate a ts guess .xyz file
Using the script:
Run with python scan_to_ts.py file.log, where file.log is a
gaussian output file.
Script to parse .log files and extract E, H, G along with the coordinates
Using the script:
Run with python log2SI.py file.log, where file.log is a
gaussian output file. To run with multiple files python log2SI.py *.log
which will generate an output.txt (name modified with the -o flag).