.. index:: pair: class; rgpot::TIP4PPtPot
.. _doxid-classrgpot_1_1_t_i_p4_p_pt_pot:

class rgpot::TIP4PPtPot
=======================

.. toctree::
	:hidden:

	struct_rgpot_TIP4PPtPot_Impl.rst

Overview
~~~~~~~~

TIP4P water on platinum (Zhu-Philpott). :ref:`More...<details-classrgpot_1_1_t_i_p4_p_pt_pot>`


.. ref-code-block:: cpp
	:class: doxyrest-overview-code-block

	#include <WaterPots.hpp>
	
	class TIP4PPtPot: public rgpot::Potential< TIP4PPtPot > {
	public:
		// structs
	
		struct :ref:`Impl<doxid-structrgpot_1_1_t_i_p4_p_pt_pot_1_1_impl>`;

		// construction
	
		:target:`TIP4PPtPot<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a7e1b95cc38aba870131d7e65779fbd7f>`();
		:target:`TIP4PPtPot<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a21b983af5a2961d0c6a6c0934a48f89a>`(const :ref:`WaterConfig<doxid-structrgpot_1_1_water_config>`& config);
		:target:`TIP4PPtPot<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1aa58b556f6312e96ecc4e07337c77917b>`(const TIP4PPtPot&);
		:target:`~TIP4PPtPot<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a027239d8116da57185123cdb5620e1a3>`();

		// methods
	
		TIP4PPtPot& :target:`operator=<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a89a1450ac90038bbd5358783b78ba5ba>`(const TIP4PPtPot&);
		const :ref:`WaterConfig<doxid-structrgpot_1_1_water_config>`& :target:`config<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a0172399941693f7abbd568aeb69b7072>`() const;
		virtual :ref:`PotCaps<doxid-structrgpot_1_1_pot_caps>` :ref:`caps<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a45947c5e16d6c71b1275856ee882fbeb>`() const;
		virtual uint64_t :ref:`paramsKey<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a4ade068779069c7d98dc40b3413ba0f2>`() const;
		void :target:`forceImpl<doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1ac071e284a882564baecf19a0b1414a25>`(const :ref:`ForceInput<doxid-structrgpot_1_1_force_input>`& in, :ref:`ForceOut<doxid-structrgpot_1_1_force_out>`* out) const;
	};
.. _details-classrgpot_1_1_t_i_p4_p_pt_pot:

Detailed Documentation
~~~~~~~~~~~~~~~~~~~~~~

TIP4P water on platinum (Zhu-Philpott). Hydrogens come in pairs at the front, then the oxygens, then the platinum atoms.

Methods
-------

.. index:: pair: function; caps
.. _doxid-classrgpot_1_1_t_i_p4_p_pt_pot_1a45947c5e16d6c71b1275856ee882fbeb:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	virtual :ref:`PotCaps<doxid-structrgpot_1_1_pot_caps>` 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_t_i_p4_p_pt_pot_1a4ade068779069c7d98dc40b3413ba0f2:

.. 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 <doxid-_param_hash_8hpp_source>`) plus a kernel-version salt that changes whenever the numerics change. The default (0) suits parameter-free potentials whose numerics never changed.