Comments (1)
This is apparently a bug in Intel 17 when compiling TOML Fortran. Since this bug is fixed in Intel 18 already and I've dropped Intel 17 from the supported compilers for most of my projects, I won't make any attempts to workaround this issue with module variable reexports here.
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Related Issues (20)
- Add missing documentation on retrieving matrices via Python API
- any way to extract/print the Fock matrix from GFN-xTB ? HOT 8
- GFN1-xTB non-convergence with biological ligands HOT 6
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