Difference between revisions of "Redfield integral serial.m"

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{{DISPLAYTITLE:redfield_integral_serial.m}} __NOTOC__
 
{{DISPLAYTITLE:redfield_integral_serial.m}} __NOTOC__
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Redfield integral evaluation, the serial path.
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Evaluates the Redfield integral through the serial path used inside [[relaxation.m]], following the notation of IK's paper (http://dx.doi.org/10.1016/j.jmr.2010.12.004) but replacing the numerical quadrature proposed there with the faster auxiliary matrix method described in http://dx.doi.org/10.1063/1.4928978; this include is used when relaxation.m is not at the top of the parallelisation call stack, while the asynchronous include is used when it is, and it should not be called directly.
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This include is called from within [[relaxation.m]] and follows the notation used in IK's paper:
 
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    http://dx.doi.org/10.1016/j.jmr.2010.12.004
 
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with the difference that the numerical quadrature method proposed there has been superceded by the much faster auxiliary matrix method described in:
 
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    http://dx.doi.org/10.1063/1.4928978
 
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This include is called when relaxation.m is not at the top of the parallelisation call stack. It uses a simple for loop to calculate the components of the Redfield superoperator. You should not be calling it directly: this is the deep end of ''Spinach'' kernel programming that is open source as a matter of policy, but is ultimately a very technical module.
 
  
 
==Syntax==
 
==Syntax==

Revision as of 19:16, 5 June 2026

Evaluates the Redfield integral through the serial path used inside relaxation.m, following the notation of IK's paper (http://dx.doi.org/10.1016/j.jmr.2010.12.004) but replacing the numerical quadrature proposed there with the faster auxiliary matrix method described in http://dx.doi.org/10.1063/1.4928978; this include is used when relaxation.m is not at the top of the parallelisation call stack, while the asynchronous include is used when it is, and it should not be called directly.

Syntax

    none - this is an include file

Parameters

    This include file is not called directly.

Outputs

    This include file has no direct function return values.

See also

relaxation.m, redfield_integral_async.m

Version 1.10, authors: Ilya Kuprov