Hello everybody,
I would like to know if it is possible to change an atom type in liggghts when a parscale reaction is completed,
and if not, is difficult to implement?
thanks to all for this new code
Riccardo
A project by DCS Computing and CFDEMresearch
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ckloss | Mon, 02/09/2015 - 13:40
Hi Riccardo,
Hi Riccardo,
yes that would be possible by adding "type" as "pull-push" property to the particle data container and then changing it in one of the chemical models
Best wishes
Christoph
Riccardo Maione | Tue, 02/10/2015 - 10:12
Awesome! thank you
Awesome! thank you
Riccardo Maione | Tue, 02/10/2015 - 11:03
However you mean I have to
However you mean I have to code this?
sradl1981 | Fri, 02/13/2015 - 11:28
Added to internal github
this is a valuable hint - I've added an issue to ParScale's github repo.
Riccardo Maione | Mon, 02/16/2015 - 14:56
Hello Stefan,
Hello Stefan,
so i have to modify particle data.h/.cpp in order to push pull the type array and then I have to modify a chemical reaction model, for example chemical_reaction_single.cpp/.h to modify the type array when a reaction is complete? I should modify something in LIGGGHTS?
sorry I am not too much into parscale code as I am into LIGGGHTS and CFDEM
Riccardo Maione