merge_inp.m

Merges multiple sys and inter structures into one. Useful for setting up chemical kinetics simulations where the molecules come from different DFT calculations.

Syntax

    [sys,inter]=merge_inp(sys_parts,inter_parts)

Parameters

   sys_parts   - a cell array of sys structures
                 to be merged

   inter_parts - a cell array of inter structures
                 to be merged

Outputs

   sys         - resulting sys structure

   inter       - resulting inter structure

Notes

Incomplete, an error is thrown for unhandled subfields, extend as appropriate.

See also

c2spinach.m, cyprinol.m, fatty_acid.m, g2spinach.m, gissmo2spinach.m, gparse.m, karplus_fit.m, killcross.m, killdiag.m, methyl_group.m, nuclacid.m, ocparse.m, oparse.m, parsexml.m, protein.m, read_bmrb.m, read_pdb_nuc.m, read_pdb_pro.m, v2spinach.m, weblab2nqi.m, x2spinach.m, Spin system specification, Import,_export,_and_visualisation

Version 2.8, authors: Ilya Kuprov