PLMD::colvar::ColvarInput< T > Struct Template Reference

#include <ColvarInput.h>

Public Member Functions
	ColvarInput (unsigned m, unsigned natoms, const T *p, const T *w, const T *q, const Pbc &box)

Static Public Member Functions
static ColvarInput	createColvarInput (unsigned m, const std::vector< Vector > &p, const Colvar *colv)
static void	setBoxDerivativesNoPbc (const ColvarInput< T > &inpt, ColvarOutput< T > &out)
static void	setBoxDerivativesNoPbc_inplace (const ColvarInput< T > &inpt, ColvarOutput< T > &out)
	same as setBoxDerivativesNoPbc but with no extra memory allocations

Public Attributes
View< const T >	charges
View< const T >	mass
unsigned	mode
const Pbc &	pbc
View2D< const T, helpers::dynamic_extent, 3 >	pos

Constructor & Destructor Documentation

ColvarInput()

template<typename T = double>

PLMD::colvar::ColvarInput< T >::ColvarInput ( unsigned m, unsigned natoms, const T * p, const T * w, const T * q, const Pbc & box )

inline

Member Function Documentation

createColvarInput()

template<typename T>

ColvarInput< T > PLMD::colvar::ColvarInput< T >::createColvarInput ( unsigned m, const std::vector< Vector > & p, const Colvar * colv )

static

setBoxDerivativesNoPbc()

template<typename T>

void PLMD::colvar::ColvarInput< T >::setBoxDerivativesNoPbc ( const ColvarInput< T > & inpt, ColvarOutput< T > & out )

static

setBoxDerivativesNoPbc_inplace()

template<typename T>

void PLMD::colvar::ColvarInput< T >::setBoxDerivativesNoPbc_inplace ( const ColvarInput< T > & inpt, ColvarOutput< T > & out )

static

same as setBoxDerivativesNoPbc but with no extra memory allocations

Member Data Documentation

charges

template<typename T = double>

View<const T> PLMD::colvar::ColvarInput< T >::charges

mass

template<typename T = double>

View<const T> PLMD::colvar::ColvarInput< T >::mass

mode

template<typename T = double>

unsigned PLMD::colvar::ColvarInput< T >::mode

pbc

template<typename T = double>

const Pbc& PLMD::colvar::ColvarInput< T >::pbc

pos

template<typename T = double>

View2D<const T,helpers::dynamic_extent,3> PLMD::colvar::ColvarInput< T >::pos

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The documentation for this struct was generated from the following file:

• colvar/ColvarInput.h