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Octopus
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Modules | |
module | partial_charges_oct_m |
Functions/Subroutines | |
subroutine, public | partial_charges_oct_m::partial_charges_calculate (mesh, st, ions, hirshfeld_charges) |
subroutine, public | partial_charges_oct_m::partial_charges_compute_and_print_charges (mesh, st, ions, iunit) |
Computes and write partial charges to a file. More... | |