ScriptInterface::Integrators::VelocityVerletIsoNPT Class Reference

#include <VelocityVerletIsoNPT.hpp>

Inheritance diagram for ScriptInterface::Integrators::VelocityVerletIsoNPT:

Collaboration diagram for ScriptInterface::Integrators::VelocityVerletIsoNPT:

Public Member Functions
	VelocityVerletIsoNPT ()
void	do_construct (VariantMap const &params) override
void	activate () override
::NptIsoParameters const &	get_instance () const
Public Member Functions inherited from ScriptInterface::AutoParameters< VelocityVerletIsoNPT, Integrator >
std::vector< std::string_view >	valid_parameters () const final
Variant	get_parameter (const std::string &name) const final
void	do_set_parameter (const std::string &name, const Variant &value) final
std::vector< std::pair< std::string, Variant > >	serialize_parameters () const final

Additional Inherited Members
Protected Member Functions inherited from ScriptInterface::AutoParameters< VelocityVerletIsoNPT, Integrator >
	AutoParameters ()=default
	AutoParameters (std::vector< AutoParameter > &&params)
	~AutoParameters () override=default
bool	has_parameter (std::string const &name) const override
void	add_parameters (std::vector< AutoParameter > &&params)
auto const &	get_parameter_insertion_order () const

Detailed Description

Definition at line 39 of file VelocityVerletIsoNPT.hpp.

Constructor & Destructor Documentation

VelocityVerletIsoNPT()

ScriptInterface::Integrators::VelocityVerletIsoNPT::VelocityVerletIsoNPT

(

)

Definition at line 40 of file VelocityVerletIsoNPT.cpp.

References ScriptInterface::AutoParameters< VelocityVerletIsoNPT, Integrator >::add_parameters(), NptIsoParameters::cubic_box, NptIsoParameters::get_direction(), get_instance(), NptIsoParameters::p_ext, NptIsoParameters::piston, and ScriptInterface::AutoParameter::read_only.

Member Function Documentation

activate()

void ScriptInterface::Integrators::VelocityVerletIsoNPT::activate ( )

override

Definition at line 67 of file VelocityVerletIsoNPT.cpp.

References INTEG_METHOD_NPT_ISO_AND, INTEG_METHOD_NPT_ISO_MTK, System::System::nptiso, System::System::on_thermostat_param_change(), and System::System::propagation.

do_construct()

void ScriptInterface::Integrators::VelocityVerletIsoNPT::do_construct ( VariantMap const &  params )

override

Definition at line 53 of file VelocityVerletIsoNPT.cpp.

References Utils::Vector< T, N >::broadcast(), params, and stream.

get_instance()

::NptIsoParameters const & ScriptInterface::Integrators::VelocityVerletIsoNPT::get_instance ( ) const

inline

Definition at line 50 of file VelocityVerletIsoNPT.hpp.

Referenced by VelocityVerletIsoNPT().

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The documentation for this class was generated from the following files:

• VelocityVerletIsoNPT.hpp
• VelocityVerletIsoNPT.cpp