Gaussian logfile and inputfile tools
These are various short scripts to aid the analyses of Gaussian (gNN) output files.
-
gt-distdiffsMat.py - Compute change in distances between atoms from two log files. Makes use of the differences matrices.
-
gt-logn2com.pl - Get the nth or last Standard Orientation from a log file and output a cartesian matrix for gNN input.
-
gt-parsearchive.py - Make the archive output of a successful optimization run easier to read.
-
gt-sto2msi.py - Create a Cerius 2.0 formatted file from the last Standard Orientation of a log file.
-
gt-xyz2com.py - Create Gaussian input file from xyz files. (This will be useful for the hydrocycler.)