Request for guidance on modifying HOOMD for Go model 12-10 LJ potential #1980
Boran-Zhao
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I expressed this sentence inaccurately, “But I think I still need to modify its files to complete this task. Can someone give me some guidance.” |
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Dear all,
I'm new to HOOMD and want to run a Go model simulation, which uses a 12-10 Lennard-Jones (LJ) potential not directly available in HOOMD.
We can use the LJ potential by a command in hoomd through a command in python script (hoomd.md.pair.LJ or hoomd.md.pair.LJ0804). In this way, I imitated the EvaluaterPairLJ.h file in the source code and wrote an EvaluaterPairLJ1210.h file.
I hope to compile the modified source code so that I can call hoomd.md.pair.LJ1210 to use this modify 12-10 LJ potential.
Best
EvaluatorPairLJ1210.txt
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