Atoms.cpp File Reference

#include "Atoms.h"
#include "ActionAtomistic.h"
#include "MDAtoms.h"
#include "PlumedMain.h"
#include "tools/Pbc.h"
#include "tools/Tools.h"
#include <algorithm>
#include <iostream>
#include <string>
#include <cmath>

Namespaces
namespace	PLMD

Functions
static const char *	PLMD::getenvForceUnique () noexcept
	Use unique list of atoms to manipulate forces and positions.
static bool	PLMD::getenvMergeVectorsPriorityQueue () noexcept
	Use a priority_queue to merge unique vectors.

Variables
static const bool	PLMD::shareMassAndChargeOnlyAtFirstStep =true
	We assume that charges and masses are constant along the simulation Set this to false if you want to revert to the original (expensive) behavior.