.. index:: pair: class; rgpot::EMTPot .. _doxid-classrgpot_1_1_e_m_t_pot: class rgpot::EMTPot =================== .. toctree:: :hidden: Overview ~~~~~~~~ .. ref-code-block:: cpp :class: doxyrest-overview-code-block class EMTPot: public rgpot::Potential< EMTPot > { public: // construction :target:`EMTPot`(); :target:`EMTPot`(const :ref:`EMTConfig`& config); :target:`EMTPot`(const EMTPot&); :target:`~EMTPot`(); // methods EMTPot& :target:`operator=`(const EMTPot&); const :ref:`EMTConfig`& :target:`config`() const; 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_m_t_pot: Detailed Documentation ~~~~~~~~~~~~~~~~~~~~~~ Methods ------- .. index:: pair: function; caps .. _doxid-classrgpot_1_1_e_m_t_pot_1ad4b95b3489ca5ab6066a9e8c4ca8bcab: .. 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_m_t_pot_1afc2dad5e8fce65ffe5dbec261af9ff5b: .. 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.