albert
albert
Refactoring of ANCopt-related procedures. The modifications have been segmented into multiple commits for easier tracking of the changes
**Is your feature request related to a problem? Please describe.** The [deprecation](https://community.intel.com/t5/Blogs/Tech-Innovation/Tools/Deprecation-of-The-Intel-Fortran-Compiler-Classic-ifort/post/1541699) Intel Fortran Compiler Classic (`ifort`) **Describe the solution you'd like** [Porting](https://www.intel.com/content/www/us/en/developer/articles/guide/porting-guide-for-ifort-to-ifx.html) to the LLVM-based Intel Fortran Compiler `ifx`...
**Describe the bug** The optimized binaries, compiled using gfortran and ifort, perform not in the same manner for the same structure. Despite ifort running smoothly, gfortran encounters an error during...
add **src/tblite/mapping.f90** to convert tblite wfn and SCC results into the internal xtb data types. Any suggestions on how to improve this would be highly appreciated, as this is step...