Hi all, i'm thinking about the future of VASP these days since i'm myself using it for compositional work. Said this, it is not completely true though, since i'm using the numarray extension of the py/pyext external (CVS version), which allows to work with PD arrays in Python. I consider this the future of VASP (namely to be a pure Python module), although it will perhaps be called differently then. Realizing there are still a number of daily downloads although i haven't touched VASP for quite a while now let's me ask you about your usage of VASP. Do you use it for
Does it have to provide
Do you predominantly use
I realized in my own work that it's very hard to express complex stuff as PD graphs, and also VASP has the problem of needing to lock arrays while working on them, which still isn't really implemented in PD (it is in the devel branch, but the future of this isn't clear either). The question is now whether i abandon the current PD object implementation of VASP and focus on the Python one, or think about a side-by-side solution of both systems, probably reducing the functionality of the current VASP implementation a bit. There's still time to decide since the Python array implementation hasn't been standardized yet.... Let me know what you think and if you care at all.
best greetings, Thomas