.. index:: pair: class; rgpot::EAMPot .. _doxid-classrgpot_1_1_e_a_m_pot: class rgpot::EAMPot =================== .. toctree:: :hidden: struct_rgpot_EAMPot_Impl.rst Overview ~~~~~~~~ .. ref-code-block:: cpp :class: doxyrest-overview-code-block class EAMPot: public rgpot::Potential< EAMPot > { public: // structs struct :ref:`Impl`; // construction :target:`EAMPot`(); :target:`EAMPot`(const :ref:`EAMCellConfig`&); :target:`EAMPot`(const EAMPot&); :target:`~EAMPot`(); // methods EAMPot& :target:`operator=`(const EAMPot&); virtual :ref:`PotCaps` :ref:`caps`() const; virtual uint64_t :ref:`paramsKey`() const; void :target:`forceImpl`(const :ref:`ForceInput`& in, :ref:`ForceOut`* out) const; }; .. _details-classrgpot_1_1_e_a_m_pot: Detailed Documentation ~~~~~~~~~~~~~~~~~~~~~~ Methods ------- .. index:: pair: function; caps .. _doxid-classrgpot_1_1_e_a_m_pot_1acd8f90776acc77cd9fe6cfe2aa202275: .. ref-code-block:: cpp :class: doxyrest-title-code-block virtual :ref:`PotCaps` caps() const Concurrency and evaluation capabilities of this potential. Multi-threaded callers (NEB images, dimer endpoints) derive their sharing and cloning policy from this instead of hard-coded lists. .. index:: pair: function; paramsKey .. _doxid-classrgpot_1_1_e_a_m_pot_1ad13c8e2615593de028b7fa1ee87ec43e: .. ref-code-block:: cpp :class: doxyrest-title-code-block virtual uint64_t paramsKey() const Fingerprint of the potential's parameter set. Mixed into the result-cache key so results never cross parameter sets. Implementations hash their config field by field (see :ref:`ParamHash.hpp `) plus a kernel-version salt that changes whenever the numerics change. The default (0) suits parameter-free potentials whose numerics never changed.