Difference between revisions of "Tolerances.m"

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{{DISPLAYTITLE:tolerances.m}} __NOTOC__
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{{DISPLAYTITLE:tolerances.m}}
 
 
 
Tolerances and fundamental constants. Sets the various accuracy cut-offs, constants and tolerances used throughout ''Spinach'' kernel.
 
Tolerances and fundamental constants. Sets the various accuracy cut-offs, constants and tolerances used throughout ''Spinach'' kernel.
  
 
==Syntax==
 
==Syntax==
  
[spin_system,sys]=tolerances(spin_system,sys)
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    [[Appendix D: kernel data structures|spin_system]]=tolerances([[Appendix D: kernel data structures|spin_system]],sys)
  
 
==Arguments==
 
==Arguments==
  
[[Appendix D: kernel data structures|spin_system]]  -  Spinach system description object
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    [[Appendix D: kernel data structures|spin_system]]  -  Spinach system description object
 
   
 
   
 
     [[Spin_system_specification|sys]]          -  system specification object described
 
     [[Spin_system_specification|sys]]          -  system specification object described
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==Outputs==
 
==Outputs==
  
spin_system  -  updated system description object
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    [[Appendix D: kernel data structures|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==
 
==Notes==
 
 
Direct calls and modifications to this function are discouraged: the [[Appendix_A:_internal_tolerances|accuracy settings]] should be modified by setting the sys.tols structure, see the [[Spin_system_specification|input preparation manual]].
 
Direct calls and modifications to this function are discouraged: the [[Appendix_A:_internal_tolerances|accuracy settings]] should be modified by setting the sys.tols structure, see the [[Spin_system_specification|input preparation manual]].
  
 
==See also==
 
==See also==
 
 
[[create.m]], [[clean_up.m]]
 
[[create.m]], [[clean_up.m]]
  
  
 
''Version 2.2, authors: [[Ilya Kuprov]], [[Hannah Hogben]]''
 
''Version 2.2, authors: [[Ilya Kuprov]], [[Hannah Hogben]]''

Revision as of 15:50, 5 April 2026

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

Syntax

    spin_system=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

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