sc::BEMSolvent(3) MPQC sc::BEMSolvent(3) NAME sc::BEMSolvent SYNOPSIS Inherits sc::DescribedClass. Public Member Functions BEMSolvent (const Ref< KeyVal > &) void init () void done (int clear_surface=1) int ncharge () Ref< Molecule > solvent () double solvent_density () double ** alloc_charge_positions () void free_charge_positions (double **a) double ** alloc_normals () void free_normals (double **a) double * alloc_efield_dot_normals () void free_efield_dot_normals (double *a) double * alloc_charges () void free_charges (double *a) void charge_positions (double **) void normals (double **) void compute_charges (double *efield_dot_normals, double *charge) void normalize_charge (double enclosed_charge, double *charges) double nuclear_charge_interaction_energy (double *nuclear_charge, double **charge_positions, double *charge) double nuclear_interaction_energy (double **charge_positions, double *charge) double self_interaction_energy (double **charge_positions, double *charge) double polarization_charge (double *charge) double area () const double volume () const double computed_enclosed_charge () const double disp () double rep () double disprep () void init_system_matrix () Ref< TriangulatedImplicitSurface > surface () const Ref< SCMatrixKit > matrixkit () Public Member Functions inherited from sc::DescribedClass DescribedClass (const DescribedClass &) DescribedClass & operator= (const DescribedClass &) ClassDesc * class_desc () const throw () This returns the unique pointer to the ClassDesc corresponding to the given type_info object. const char * class_name () const Return the name of the object's exact type. int class_version () const Return the version of the class. virtual void print (std::ostream &=ExEnv::out0()) const Print the object. Public Member Functions inherited from sc::RefCount int lock_ptr () const Lock this object. int unlock_ptr () const Unlock this object. void use_locks (bool inVal) start and stop using locks on this object refcount_t nreference () const Return the reference count. refcount_t reference () Increment the reference count and return the new count. refcount_t dereference () Decrement the reference count and return the new count. int managed () const void unmanage () Turn off the reference counting mechanism for this object. int managed () const Return 1 if the object is managed. Otherwise return 0. Public Member Functions inherited from sc::Identity Identifier identifier () Return the Identifier for this argument. Additional Inherited Members Protected Member Functions inherited from sc::RefCount RefCount (const RefCount &) RefCount & operator= (const RefCount &) Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Thu Sep 3 2026 sc::BEMSolvent(3)
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