Documentation for module se_fock_matrix_dbg

...

source: se_fock_matrix_dbg.F
Loading...

public Subroutines/Functions:

Debug routine for long-range energy (debug value of EWALD vs VALUE KS)

SUBROUTINEdbg_energy_coulomb_lr(energy, ks_matrix, nspins, qs_env, matrix_p, calculate_forces, store_int_env)

Debug routine for long-range energy (debug value of EWALD vs VALUE KS)

Arguments:
POINTER
:: energy ...
POINTER
:: ks_matrix(:) ...
INTEGER,
INTENT(in)
:: nspins ...
POINTER
:: qs_env ...
POINTER
:: matrix_p(:) ...
LOGICAL,
INTENT(in)
:: calculate_forces ...
POINTER
:: store_int_env ...