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ReaxTools: A high performance ReaxFF/AIMD/MLP-MD post-process code

online test use: http://cc-portal.xyz/reax_tools_pro cite: Hanxiang Chen. ReaxTools: A high performance ReaxFF/AIMD/MLP-MD post-process code [Computer software]. https://github.com/tgraphite/reax_tools

local installation:

  1. git clone https://github.com/tgraphite/reax_tools.git
  2. cd /path/to/reax_tools
  3. bash install_reax_tools.sh

tutorial: http://cc-portal.xyz/reax_tools_pro/tutorial.html

parameters: http://cc-portal.xyz/reax_tools_pro/inputargs.html

species_count

ring_detection

atom_bonded_num_count

bond_count

compare_HO_atom_transfer

compare_species_count_NO2

reactions_centered_on_C4H6N2O7

ring_count

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A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.

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