[DFTB-Plus-User] xTB support
toufik esssakhri
tousak at hotmail.fr
Mon Jan 31 12:43:28 CET 2022
Dear all,
I am trying to use xTB implementation on DFTB+21.2 version. The compilation was done by passing -DWITH_TBLITE=TRUE when invoking cmake.
But I still getting the following error
ERROR!
- > DFTB+ compiled without support for tblite library
I verified with
cat CMakeCache.txt | grep TBLITE
WITH_TBLITE:BOOL=TRUE
Any suggestions please?
Best regards,
Toufik
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