WIP: New sorting feature for EXPBAS module
This is a simple feature to sort orbitals of INPORB2 file as the ones in INPORB1 file. It is implemented in the EXPBAS module as it is a form of orbital manipulation. The sorted orbitals are written in SORTORB file. The tool is activated by the SORT keyword. Required files are INPORB1 and INPORB2 and the ONEINT for the overlap.
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Documentation updated or not needed. -
Test created or not needed. -
Attribution in source files and CONTRIBUTORS.md
updated if necessary.