Version-6.py: Difference between revisions
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'''How to use it : python version-6.py''' | '''How to use it : python version-6.py''' | ||
The 1st File Generated: species_list.txt | |||
The 2nd File Generated: reaction_list.txt | The 2nd File Generated: reaction_list.txt | ||
The 3rd File Generated: label_dic.txt, c1c2c3.txt (By hand) | The 3rd File Generated: label_dic.txt, c1c2c3.txt (By hand) | ||
The 4th File Generated: reaction_energy.txt | The 4th File Generated: reaction_energy.txt | ||
The 5th File Generated: selected_reactions.txt | The 5th File Generated: selected_reactions.txt | ||
The 6th File Generated: filtered_reactions.txt | The 6th File Generated: filtered_reactions.txt | ||
Revision as of 13:20, 10 February 2017
go back to Main Page, Computational Resources, Scripts, Scripts for VASP
This Script Generates Glycerol Decomposition Network and Complete Intermediates
How to use it : python version-6.py
The 1st File Generated: species_list.txt
The 2nd File Generated: reaction_list.txt
The 3rd File Generated: label_dic.txt, c1c2c3.txt (By hand)
The 4th File Generated: reaction_energy.txt
The 5th File Generated: selected_reactions.txt
The 6th File Generated: filtered_reactions.txt