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UF3 Lammps code update, script fix and documentation update #113

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monk-04 wants to merge 7 commits into develop from lammps_script_fix_document_update

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monk-04 commented Apr 2, 2024 •

edited

lammps_plugin/scripts/generate_uf3_lammps_pots.py has been updated to add UNITS, AUTHOR, DATE and CITATION metadata
The documentation regarding pair_style line for setting uf3 as the pair style in LAMMPS has been updated.
Updates to the UF3 LAMMPS code to match the code in https://github.com/uf3/lammps/tree/ml-uf3

monk-04 added 7 commits

April 2, 2024 11:46


          Added METADATA information as per @akohlmey suggestion

54556fb


          Updated documentation and added METADATA information

6ad4301


          Script now generate unified uf3 potential file

43e95a6


          Updated documentation about the potential file format

f9002dd


          Updated the script, minor fixes

c931c06


          Updated README

15014e6


          Spelling Fix

d14b3af

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