Respected Sir/Madam
I need to analysis the products , intermediates and final products are produced during HMX thermal decomposition. which command want to give in lammps. Please do the needful.
Thanking you.
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Do a literature search.
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Find what are the “exact” numerical procedures that have been published.
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Look at the documentation of Lammps to find how to reproduce these procedures.
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Ask your precise questions if you didn’t find any answer in the (large and exhaustive) documentation and/or if your tests failed.
Good luck!
Julien