nblist.h

#pragma once
#include "ff/precision.h"
#include "tool/genunit.h"
#include "tool/rcman.h"
 
namespace tinker {
 
enum class Nbl
{
   UNDEFINED = 0x00,   
   DOUBLE_LOOP = 0x01, 
   VERLET = 0x02,      
   SPATIAL = 0x04      
};
TINKER_ENABLE_ENUM_BITMASK(Nbl);
 
struct NBList
{
   int* nlst;     
   int* lst;      
   int* update;   
   real* xold;    
   real* yold;    
   real* zold;    
   const real* x; 
   const real* y; 
   const real* z; 
   int maxnlst;   
   real cutoff;   
   real buffer;   
 
   ~NBList();
};
typedef GenericUnit<NBList, GenericUnitVersion::ENABLE_ON_DEVICE> NBListUnit;
 
Nbl vlistVersion();    
Nbl clistVersion();    
Nbl mlistVersion();    
Nbl ulistVersion();    
Nbl dsplistVersion();  
void nblistData(RcOp); 
void nblistRefresh();  
 
//====================================================================//
//                                                                    //
//                          Global Variables                          //
//                                                                    //
//====================================================================//
 
TINKER_EXTERN NBListUnit vlist_unit;
TINKER_EXTERN NBListUnit clist_unit;
TINKER_EXTERN NBListUnit mlist_unit;
TINKER_EXTERN NBListUnit ulist_unit;
TINKER_EXTERN NBListUnit dsplist_unit;
 
}