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dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method
GNU Lesser General Public License v3.0
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Fix element name convention #85

Closed aradi closed 4 months ago

aradi commented 5 months ago

This allows the usage of element names matching the pattern [a-z][a-z0-9_] (ignoring case). This also would ensure, that each element name is a valid XML tag name (although not necessary for the application...)

vanderhe commented 5 months ago

@aradi Could we get a helpful error message for unsupported cases like Oß?

bhourahine commented 5 months ago

@aradi Could we get a helpful error message for unsupported cases like Oß?

So anything outside of ascii codes 48-57, 65-90, 95, 97-122 ? Unicode support seems permitted but not required: https://fortranwiki.org/fortran/files/character_handling_in_Fortran.html so any ideas what ß turns into with a non-supporting compiler?