Open jmbuhr opened 1 year ago
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.
LIST
ISOLATED_ATOMS
start..end
start
end
integer
A temporary fix is to change it to string, though this does not give us structured data to work with.
string
I am not sure how often this is used for other places in the input file, but e.g. the
LISTkeyword ofISOLATED_ATOMS. takes a range of the formstart..endwith integersstartandend. However, right now this is coded asintegerin 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.