Add unsafe open mode #79
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added 9 commits
January 24, 2022 10:10
suggest using h5repack after each deletion to get the file size right
scemama
requested changes
Jan 25, 2022
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'u'mode is implemented in thetrexio_openfunction. It allows to overwrite single blocks of data and delete entire groups in the TREXIO files;trexio_delete_[group]functions which can be used in unsafe mode to delete entire groups. Note: this is the only way to modify the existingsparsequantities (e.g. RDMs or ERIs). Sparse data cannot be overwritten but rather has to be deleted first and then written again;unsafe(int) attribute added tometadatagroup to indicate that the file has been modified in unsafe mode and might be inconsistent. The value is set to1upon first unsafe call totrexio_openbut can be manually overwritten if the user carefully validated the TREXIO file.