echarge.h

#pragma once
#include "ff/energybuffer.h"
#include "tool/rcman.h"
 
namespace tinker {
void echargeData(RcOp);
 
void echarge(int vers);
 
void echargeEwaldRecipSelf(int);
}
 
//====================================================================//
//                                                                    //
//                          Global Variables                          //
//                                                                    //
//====================================================================//
 
// charge chgpot
namespace tinker {
TINKER_EXTERN real* pchg;
 
TINKER_EXTERN CountBuffer nec;
TINKER_EXTERN EnergyBuffer ec;
TINKER_EXTERN VirialBuffer vir_ec;
TINKER_EXTERN grad_prec* decx;
TINKER_EXTERN grad_prec* decy;
TINKER_EXTERN grad_prec* decz;
TINKER_EXTERN energy_prec energy_ec;
TINKER_EXTERN virial_prec virial_ec[9];
 
TINKER_EXTERN real ebuffer;
TINKER_EXTERN real c2scale, c3scale, c4scale, c5scale;
TINKER_EXTERN int ncexclude;
TINKER_EXTERN int (*cexclude)[2];
TINKER_EXTERN real* cexclude_scale;
}