Hello, @PaulWAyers @gabrielasd This is the branch with the later database with the added functionalities (all the properties can be partitioned in orbitals). Sorry that it took me more than I thought (I had to code tests to look for problems). So far everything works (at least everything I have tested). I will continue to create tests for this database (but I think the code can be used).
Hello, @PaulWAyers @gabrielasd This is the branch with the later database with the added functionalities (all the properties can be partitioned in orbitals). Sorry that it took me more than I thought (I had to code tests to look for problems). So far everything works (at least everything I have tested). I will continue to create tests for this database (but I think the code can be used).