Documentation for module qs_integrate_potential

Integrate single or product functions over a potential on a RS grid

source: qs_integrate_potential.F
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Forwarded symbols:

integrate_pgf_product_rspace
qs_integrate_potential_low::integrate_pgf_product_rspace
low level function to compute matrix elements of primitive gaussian functions
integrate_v_rspace
qs_integrate_potential_product::integrate_v_rspace
computes matrix elements corresponding to a given potential
integrate_ppl_rspace
qs_integrate_potential_single::integrate_ppl_rspace
computes the forces/virial due to the local pseudopotential
integrate_rho_nlcc
qs_integrate_potential_single::integrate_rho_nlcc
computes the forces/virial due to the nlcc pseudopotential
integrate_v_core_rspace
qs_integrate_potential_single::integrate_v_core_rspace
computes the forces/virial due to the ionic cores with a potential on grid
integrate_v_rspace_one_center
qs_integrate_potential_single::integrate_v_rspace_one_center
computes integrals of product of v_rspace times a one-center function required for LRIGPW