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Questions about the Silicon simulation #4

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zdcao121 opened this issue Dec 27, 2023 · 0 comments
Open

Questions about the Silicon simulation #4

zdcao121 opened this issue Dec 27, 2023 · 0 comments

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@zdcao121
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Hi, it's a great project!
I have some questions about the Silicon simulation outputs in the /data/silicon/3_opes_dlda_dtica. As shown in the input.lmp file, the total simulation time is 200 ns and it would output 200,000 structures in the dump.dcd file. But the COLVAR file only contains 50,000 results, which make me feel confused. Don’t LAMMPS and PLUMED output simultaneously? How to connect the calculation results in the COLVAR file and structures in the dump.dcd file?
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