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Initial positions of molecules #26

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NguyenVanHoa17 opened this issue Dec 12, 2024 · 2 comments
Open

Initial positions of molecules #26

NguyenVanHoa17 opened this issue Dec 12, 2024 · 2 comments

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@NguyenVanHoa17
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As far as I know, the simulation begins with a random distribution, and users can set up the number of molecules.
Can the initial positions of molecules be customized?
Thank you.

@CheukHinHoJerry
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in raspa2 i write code for myself that modifies a restartfile with brute force. Pretty sure it is doable in raspa3 too.

@dubbelda
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Not yet, the restart-file with positions is on the TODO-list.

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