Jonathan Dean

Hi @jongrumer (or anyone else that answers this!) I know the latest 2018 installment of grasp has some other ways to define csfs, but I am still operating with jjgen....

rangular_mpi Eorror in '...': free(): invalid next size (fast):$

2

Hello, I am having an issue with trying to run the rangular_mpi program on my University's local HPC. I receive this error: rangular_mpi Eorror in '...': free(): invalid next size...

"More than 20 subshells"

3

Both rcsfgenerate and jjgen seem unable to cope with more than 20 relativistic orbitals (5f and beyond) in the reference configuration. Are there any work arounds with this? For example:...