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(git:ed6f26b)
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#include "./base/base_uses.f90"
Go to the source code of this file.
Modules | |
module | hfx_ri_kp |
RI-methods for HFX and K-points. \auhtor Augustin Bussy (01.2023) | |
Functions/Subroutines | |
subroutine, public | hfx_ri_kp::hfx_ri_update_ks_kp (qs_env, ri_data, ks_matrix, ehfx, rho_ao, geometry_did_change, nspins, hf_fraction) |
Update the KS matrices for each real-space image. | |
subroutine, public | hfx_ri_kp::hfx_ri_update_forces_kp (qs_env, ri_data, nspins, hf_fraction, rho_ao, use_virial) |
Update the K-points RI-HFX forces. | |