(git:374b731)
Loading...
Searching...
No Matches
hfx_ri_kp.F File Reference

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.