Pre-submission enquiry

[ftherrien]

Hi,

I have created a package named VaspGibbs to simplify the process of getting Gibbs free energy from VASP calculations. The physics of VaspGibbs are not new and other large packages (vaspkit and ASE) have functions that can accomplish these tasks, but VaspGibbs makes the process easy and does not require the users (1) to know python (2) have an in-depth understanding of the thermodynamics involved. Other widely used DFT codes like Gaussian can return Gibbs free energy directly. VaspGibbs aims to provide that functionality for VASP users.

My concerns are:

1. VaspGibbs is open source and has no dependencies other than numpy, but VASP is not. How does that fitt with JOSS's rules?
2. VaspGibbs is useful, but it does not contain new physics.

Would it be suitable for JOSS? If not what kind of improvements/features would make it suitable?

Thanks,

Félix