Releases · TREX-CoE/trexio_tools

What's Changed

Add basis_r_power to orca and pyscf converters by @scemama in #33
Update of PySCF checkpoint files for the GitHub action by @kousuke-nakano in #32
Fixing basis_r_power by @scemama in #35
Fix backend for orca to trexio. by @v1j4y in #38
Implemented a converter from a CRYSTAL23 output file to the TREX-IO format. by @kousuke-nakano in #36
Crystal to TREXIO converter via CLI by @q-posev in #44
Improve force overwriting for existing output files by @q-posev in #48
Improve the documentation and add input checks to to_determinant_list by @q-posev in #47
Fix PySCF->QP2 transformation by @scemama in #50
Previous fix was wrong. Re-fixed by @scemama in #51