httk.atomistic.integrations.vasp.io.oszicar¶
String-preserving reader for VASP OSZICAR files.
Electronic iterations are attached to the following ionic summary, as VASP
writes them. If the file ends before that summary, a final entry with
n, F, E0, dE, and mag all set to None preserves the
trailing electronic block.
Functions¶
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Read OSZICAR text without converting numeric lexemes. |
Module Contents¶
- httk.atomistic.integrations.vasp.io.oszicar.read_oszicar(source)¶
Read OSZICAR text without converting numeric lexemes.
Electronic iterations are attached to the following ionic summary. A trailing electronic block is retained as an incomplete final entry when no summary follows it.