Asked by Debski

Dear Dion,

Just at first glance - switching scaling off (scaling=False in NRotBondPrms() does not seem to help.
So I need to have a look into the code to verify if correctly understand Fieldsaver/checkpointer outputs.
In which files can I find the source code for
fieldsaver used to output elastic energy and checpointer ?


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Dion Weatherley (d-weatherley) said :

Hi Wojciech,

The fieldsaver implementation is a bit complicated. The generic infrastructure for FieldSavers of various types (ParticleScalar, InteractionVector, etc) can be found in the Fields/ direcctory. However, the actual values that are output by these fieldsavers, is generally found in the relevant files within Model/ directory. Searching for "ScalarFieldFunction" or "VectorFieldFunction" in Model/ should help narrow down the search.

For example, to see what is being output by NRotBondedPrms when you request the scalar field "potential_energy":
1) open Model/BondedInteraction.cpp
2) search for "ScalarFieldFunction"
3) check the list for "potential_energy"
4) search for the subroutine being called; "getPotentialEnergy" in this case
5) read the code for computing this scalar field value

The checkpointer code is in Parallel/ subdirectory. The key routines can be found by searching for "saveCheckPointData" in SubLattice.hpp (for NRotSphere simulations) or RotSubLattice.hpp (for RotSphere simulations).



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