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parsing of X..Y ranges for LIST keyword fails #72

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jmbuhr opened this issue Apr 26, 2023 · 0 comments
Open

parsing of X..Y ranges for LIST keyword fails #72

jmbuhr opened this issue Apr 26, 2023 · 0 comments

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@jmbuhr
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jmbuhr commented Apr 26, 2023

I am not sure how often this is used for other places in the input file, but e.g. the LIST keyword of ISOLATED_ATOMS.
takes a range of the form start..end with integers start and end.
However, right now this is coded as integer in https://github.com/cp2k/cp2k-input-tools/blob/develop/cp2k_input_tools/cp2k_input.xml
(line 429209). This errors out when parsing.

A temporary fix is to change it to string, though this does not give us structured data to work with.
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