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xc_adiabatic_utils Module Reference

Functions/Subroutines

subroutine, public rescale_xc_potential (qs_env, ks_matrix, rho, energy, v_rspace_new, v_tau_rspace, hf_energy, just_energy, calculate_forces, use_virial)

Detailed Description

History
refactoring 03-2011 [MI]
Author
MI

Function/Subroutine Documentation

◆ rescale_xc_potential()

subroutine, public xc_adiabatic_utils::rescale_xc_potential ( type(qs_environment_type), pointer qs_env,
type(dbcsr_p_type), dimension(:, :), pointer ks_matrix,
type(qs_rho_type), pointer rho,
type(qs_energy_type), pointer energy,
type(pw_r3d_rs_type), dimension(:), pointer v_rspace_new,
type(pw_r3d_rs_type), dimension(:), pointer v_tau_rspace,
real(dp), dimension(:) hf_energy,
logical, intent(in) just_energy,
logical, intent(in) calculate_forces,
logical, intent(in) use_virial )
Parameters
qs_env...
ks_matrix...
rho...
energy...
v_rspace_new...
v_tau_rspace...
hf_energy...
just_energy...
calculate_forces...
use_virial...

Definition at line 68 of file xc_adiabatic_utils.F.

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