VCEXTRACT is a simple program that can be used to read a .vcham file created by VCHFIT and output the non-zero parameters in a format that can be used directly in a VCHFIT input file. The program is command line driven and requires the specification of a small number of arguments.

To run the program type
vcextract arg1 arg2 ... file
where arg1 arg2 ... are the arguments, and file is the name of the .vcham file.

By way of example, typing

vcextract -o file.out file.vcham

would result in the parameters being read from the file file.vcham and written to the file file.out.

Arguments

Arguments
Argument Description
-out A The parameters are written to the file named A
-weight The frequency weighted kappa and lambda terms are printed. The parameters are weighted by the ground state frequencies
-weight2 The frequency weighted kappa and lambda terms are printed. The parameters are weighted by the effective frequencies of the excited states.