fix_modify AtC transfer on_the_fly

syntax

fix_modify AtC transfer on_the_fly <bond | kernel> <optional on | off>

• bond | kernel (keyword) = specifies on-the-fly calculation of bond or kernel matrix elements
  
• on | off (keyword) = activate or discontinue on-the-fly mode
  

examples

fix_modify AtC transfer on_the_fly bond on
fix_modify AtC transfer on_the_fly kernel
fix_modify AtC transfer on_the_fly kernel off

description

Overrides normal mode of pre-calculating and storing bond pair-to-node and kernel atom-to-node matrices. If activated, will calculate elements of these matrices during repeated calls of field computations (i.e. "on-the-fly") and not store them for future use.
on flag is optional - if omitted, on_the_fly will be activated for the specified matrix. Can be deactivated using off flag.

restrictions

Must be used with the hardy AtC transfer ( see fix atc command )

related

default

By default, on-the-fly calculation is not active (i.e. off). However, code does a memory allocation check to determine if it can store all needed bond and kernel matrix elements. If this allocation fails, on-the-fly is activated.

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