Request for input interface suitable for databases with inconstant atom number. #300
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njzjz
permissionx
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Seems present interface doesn't allow the atom number change in the input .raw files. Is it possible to modify the input rule for the situations that atom number varies between frames? |
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Answered by
njzjz
Nov 26, 2020
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This rule is for performance. You can divided your data into different directory (i.e. different systems). |
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Answer selected by
njzjz
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Got it, thanks. |
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This rule is for performance. You can divided your data into different directory (i.e. different systems).
systemsparameter can be a list.An example here: https://doi.org/10.6084/m9.figshare.12973055