PLMD::pamm::HBPammObject Class Reference

#include <HBPammObject.h>

Public Member Functions
double	evaluate (const unsigned &dno, const unsigned &ano, const unsigned &hno, const Vector &d_da, const double &md_da, multicolvar::AtomValuePack &myatoms) const
	Evaluate the HBPamm Object.
double	get_cutoff () const
	Get the cutoff to use throughout.
void	setup (const std::string &filename, const double &reg, multicolvar::MultiColvarBase *mybase, std::string &errorstr)
	Setup the HBPamm object.

Private Attributes
multicolvar::MultiColvarBase *	mymulti =nullptr
	Pointer to base class in multicolvar.
PammObject	mypamm
	The Pamm object underlying this HBPamm calculation.

Member Function Documentation

evaluate()

double PLMD::pamm::HBPammObject::evaluate	(	const unsigned &	dno,
		const unsigned &	ano,
		const unsigned &	hno,
		const Vector &	d_da,
		const double &	md_da,
		multicolvar::AtomValuePack &	myatoms ) const

Evaluate the HBPamm Object.

get_cutoff()

double PLMD::pamm::HBPammObject::get_cutoff

(

)

const

Get the cutoff to use throughout.

setup()

void PLMD::pamm::HBPammObject::setup	(	const std::string &	filename,
		const double &	reg,
		multicolvar::MultiColvarBase *	mybase,
		std::string &	errorstr )

Setup the HBPamm object.

Member Data Documentation

mymulti

multicolvar::MultiColvarBase* PLMD::pamm::HBPammObject::mymulti =nullptr

private

Pointer to base class in multicolvar.

mypamm

PammObject PLMD::pamm::HBPammObject::mypamm

private

The Pamm object underlying this HBPamm calculation.

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

• pamm/HBPammObject.h
• pamm/HBPammObject.cpp