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Update chemi_mechanism.m
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dadaoqiuzhi committed Nov 15, 2023
1 parent 3a1552a commit 99e64ad
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion chemi_mechanism/chemi_mechanism.m
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disp('References: 1.Fuel 287 (2021) 119484. 2.ACS Appl. Mat. Interfaces 13(34) (2021) 41287-41302. 3.ACS Appl. Mat. Interfaces 2022, 14.(4), 5959-5972.')
disp('4.ACS Materials Letters 2023, 2174-2188. More work is coming!')
disp('##################################################################################################################################')
fprintf('This program is used to\n1.Export products or reactants files\n2.Analyze and export reactants-products files\n3.Analyze special groups, bonds and species (in development)\n4.Analyze where the interested species go\n')
fprintf('This program is used to\n1.Export structure files of products or reactants\n2.Analyze and export reactants-products files\n3.Analyze special groups, bonds and species (in development)\n4.Analyze where the interested species go\n')
choi=input('Please select the option No.: \n');
if choi==1 || choi==2 || choi==4
formatout=input('\nPlease select the file format No.: 1.xyz 2.car 3.pdb\n');
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