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In the development of new theory, computational cost is also an important factor.  In many cases, a code can provide optimized and parallelized building blocks that developers can use to produce highly efficient code without In this sense, caring about the details of the implementation. However, it is critical to expose an adequate level that hides the performance details while still giving enough flexibility to the developers. For example,  we have found that the traditional picture of an state as the basic object is not adequate for optimal performance, as it does not expose enough data parallelism~\cite{Andrade_2012_gpus}. In Octopus we use a higher level interface where the basic object is a group of several states.  In order to numerically calculate physical observables we need to discretise  the problem. To this end, we use a mesh representation (e.g. which changes the charge