PLMD::colvar::ColvarInput Struct Reference

#include <ColvarInput.h>

Public Member Functions
	ColvarInput (unsigned m, unsigned natoms, const double *p, const double *w, const double *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 &inpt, ColvarOutput &out)
static void	setBoxDerivativesNoPbc_inplace (const ColvarInput &inpt, ColvarOutput &out)
	same as setBoxDerivativesNoPbc but with no extra memory allocations

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

Constructor & Destructor Documentation

ColvarInput()

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

inline

Member Function Documentation

createColvarInput()

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

static

setBoxDerivativesNoPbc()

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

static

setBoxDerivativesNoPbc_inplace()

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

static

same as setBoxDerivativesNoPbc but with no extra memory allocations

Member Data Documentation

charges

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

mass

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

mode

unsigned PLMD::colvar::ColvarInput::mode

pbc

const Pbc& PLMD::colvar::ColvarInput::pbc

pos

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

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

• colvar/ColvarInput.h
• colvar/ColvarInput.cpp