(git:b279b6b)
core_ppl.F File Reference

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Modules

module  core_ppl
 Calculation of the local pseudopotential contribution to the core Hamiltonian <a|V(local)|b> = <a|Sum e^a*rc**2|b>
 

Functions/Subroutines

subroutine, public core_ppl::build_core_ppl (matrix_h, matrix_p, force, virial, calculate_forces, use_virial, nder, qs_kind_set, atomic_kind_set, particle_set, sab_orb, sac_ppl, nimages, cell_to_index, basis_type, deltaR)
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subroutine, public core_ppl::build_core_ppl_ri (lri_ppl_coef, force, virial, calculate_forces, use_virial, qs_kind_set, atomic_kind_set, particle_set, sac_ppl, basis_type)
 ... More...