Abstract
grasp is a software package in Fortran 95, adapted to run in parallel under MPI, for research in atomic physics. The basic premise is that, given a wave function, any observed atomic property can be computed. Thus, the first step is always to determine a wave function. Different properties challenge the accuracy of the wave function in different ways. This software is distributed under the MIT Licence.
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Jönsson, P., Gaigalas, G., Fischer, C. F., Bieroń, J., Grant, I. P., Brage, T., … Li, W. (2023). GRASP Manual for Users. Atoms, 11(4). https://doi.org/10.3390/atoms11040068
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