Octopus
partial_charges.F90 File Reference

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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...