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PINES.cpp File Reference
#include <string>
#include <cmath>
#include <iostream>
#include <fstream>
#include <cstdio>
#include <unordered_map>
#include <set>
#include <numeric>
#include <unordered_set>
#include <utility>
#include <functional>
#include <vector>
#include <tuple>
#include <cstddef>
#include "core/ActionWithVirtualAtom.h"
#include "core/ActionWithValue.h"
#include "core/PlumedMain.h"
#include "tools/Stopwatch.h"
#include "tools/PDB.h"
#include "tools/Vector.h"
#include "tools/AtomNumber.h"
#include "tools/SwitchingFunction.h"
#include "tools/Communicator.h"
#include "tools/Units.h"
#include "colvar/Colvar.h"
#include "core/ActionRegister.h"

Classes

struct  PLMD::pines::AtomNumberLess
 
struct  PLMD::pines::AtomPair
 
struct  PLMD::pines::PINES::MaxCompareDist
 
struct  PLMD::pines::PINES::MinCompareDist
 
struct  PLMD::pines::Padded< T >
 
class  PLMD::pines::PINES
 Provides the keyword <a href="../../user-doc/html/"PINES/index.html"> "PINES More...
 

Namespaces

namespace  PLMD
 
namespace  PLMD::pines
 

Functions

bool PLMD::pines::operator!= (const AtomPair &a, const AtomPair &b) noexcept
 
bool PLMD::pines::operator<= (const AtomPair &a, const AtomPair &b) noexcept
 
bool PLMD::pines::operator> (const AtomPair &a, const AtomPair &b) noexcept
 
bool PLMD::pines::operator>= (const AtomPair &a, const AtomPair &b) noexcept
 

Variables

constexpr int PLMD::pines::CACHE_LINE_SIZE = 64