Documentation for module qs_sccs

Self-consistent continuum solvation (SCCS) model implementation

source: qs_sccs.F
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public Subroutines/Functions:

Self-consistent continuum solvation (SCCS) model implementation

SUBROUTINEsccs(qs_env, rho_tot_gspace, v_hartree_gspace, v_sccs, h_stress)

Self-consistent continuum solvation (SCCS) model implementation

Arguments:
POINTER
:: qs_env ...
TYPE(pw_type),
POINTER
:: rho_tot_gspace ...
TYPE(pw_type),
POINTER
:: v_hartree_gspace ...
TYPE(pw_type),
POINTER
:: v_sccs ...
REAL(dp),
INTENT(out),
OPTIONAL
:: h_stress(3,3) ...