tolerances.m

Tolerances and fundamental constants. Sets the various accuracy cut-offs, constants and tolerances used throughout Spinach kernel.

Syntax

[spin_system,sys]=tolerances(spin_system,sys)

Arguments

spin_system - Spinach system description object

   sys          -  system specification object described
                   in the input preparation section of 
                   the manual

Outputs

spin_system - updated system description object

   sys          -  system specification structure with
                   the tolerance substructure parsed out

Notes: direct calls and modifications to this function are discouraged:
       the accuracy settings should be modified by setting the sys.tols
       structure, see the input preparation manual.

ilya.kuprov@weizmann.ac.il
hannah.hogben@chem.ox.ac.uk

Notes

Direct calls and modifications to this function are discouraged: the accuracy settings should be modified by setting the sys.tols structure, see the input preparation manual.

See also

create.m, clean_up.m

Version 2.2, authors: Ilya Kuprov, Hannah Hogben