[DFTB-Plus-User] CPP and //

Markus Kaukonen markus.kaukonen at iki.fi
Thu Oct 27 11:00:43 CEST 2016


I wrote a small python script to fix cpp issues, but unfortunately with
the  cray-compiler there were problems with
char versus string types which were not easy to fix for me (these related
to the hsd parser).
The lines causing trouble were:
hsdparser.f90 call xml_AddPCData(xf, trim2(char(value)))
hsdutils.f90 value = unquote(trim(adjustl(char(text))))

Fixed those by hand, but obviously something went wrong because the parser
failed to parse the input
when I was running the code (complained about boundary conditions and

So I gave up and did the compilation with intel-compiler. No sign of
trouble there.

Terveisin, Markus

--Markus.Kaukonen at iki.fi
--office: www.helsinki.fi/kemia/svenskakemen/index_eng.html
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068
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