gslice.m

Slices a Gaussian geometry scan log into property calculation inputs at the energy minimum geometries. The function asks for the log and for a text file containing the property calculation header. Some paths are hard-coded; edit as appropriate.

Syntax

    gslice()

Parameters

    this function pops up dialog boxes

Outputs

    property calculation inputs for every equilibrium geometry 
    in the scan and a windows script that executes them

See also

awg_interface.m, bootstrap.m, guess_csa_pro.m, guess_j_nuc.m, guess_j_pro.m, py_run.m, retrieve_file.m, spinach2hiper.m, Import,_export,_and_visualisation

Version 2.7, authors: Ilya Kuprov