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What's the difference between restart_from_file
and read_wfc_nao
?
#4690
Comments
I would suggest removing 'restart_from_file' since it is not well defined. We don't know what kind of files are needed from the 'restart_from_file' tag. BTW, I can't find 'restart_from_file' from the online manual. Instead, I found 'restart_save' and 'restart_load' |
Hi, the function restart_from_file is implemented by me during the refactor of Local_Orbital_Wfc class, which is designed to take the place of function calling read_wfc_nao, as far as I rememberit is, allocate_k in Local_Orbital_Charge. But this class has also been removed recently in Absolute Zero project, seems this restart_from_file function can be nearly ready for substituting the old one. |
Got it. After #4691, |
Details
I find that the former is well-tested while the latter is in practical use. Will the former replace the latter?
I want to support reading a part (slice) of bands, i.e. allowing the global nbands (divided by para2D) less than the number of bands in the file, which is useful to truncate
nocc
in #2460.The logic of
restart_from_file
is that the size of files determines nbands and para2D, so I think I should implement this feature inread_wfc_nao
, and it cannot be replaced.The text was updated successfully, but these errors were encountered: