Question about using original data in potential files

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1

Hi folks!
How to use atom information stored by fix_store_state command in a *.cpp file,eg.impoper.cpp.
Thank you,

Younggung

2

three comments.

  1. to avoid confusion, please don’t use the term ‘potential files’ if you are talking about source code. in the context of LAMMPS the term ‘potential files’ refers to files with parameters like the ones in the ‘potentials’ folder.

  2. if you want to know how to do things in the source code, you have to read and study the source code. there are lots of examples of commands that access externally defined fixes and computes (you can look those up in the manual), but there are also some commands that generate and use fixes internally. those don’t use fix store/state, but the (internal-only) fix STORE. here are the files (they can be easily found through grep -l '"STORE"' *.cpp */*.cpp :
    balance.cpp
    compute_chunk_atom.cpp
    compute_displace_atom.cpp
    compute_msd_chunk.cpp
    compute_msd.cpp
    compute_vacf.cpp
    dump_custom.cpp
    fix_adapt.cpp
    variable.cpp
    CORESHELL/compute_temp_cs.cpp
    REPLICA/tad.cpp
    USER-FEP/fix_adapt_fep.cpp
    USER-MISC/compute_hma.cpp

  3. please don’t modify core files like improper.cpp. that is most likely going to cause problems down the road.