#ifndef pmeRecipHeadings #define pmeRecipHeadings #include "GridDS.h" #include "pmeRecipDS.h" #include "CrdManipDS.h" #include "TrajectoryDS.h" #include "TopologyDS.h" #include "TimingsDS.h" #include "CellManipDS.h" int Factor2357(double x, int min2); void SetMeshDims(int* ng, double* gdim); double* LoadPrefac(int ordr, int ng); double* LoadMVec(int ng); int TestUnitCellOrtho(double* gdim); double SelfEnergyCorrection(double ewcoeff, prmtop *tp); bckit CreateBCKit(reccon *rcinp, dbook *Q, coord *crd, prmtop *tp, unsigned int plan); void UpdateBCKit(reccon *rcinp, coord *crd, prmtop *tp, bckit *PPk); void DestroyBCKit(bckit *PPk); void ConvQBC(reccon *rcinp, coord *crd, dbook *Q, bckit *PPk, execon *etimers); void ConvQBCnrg(reccon *rcinp, coord *crd, dbook *Q, bckit *PPk, Energy *sysUV, execon *etimers); void ConvQBCnrgvir(reccon *rcinp, coord *crd, dbook *Q, bckit *PPk, Energy *sysUV, execon *etimers); void PrepPME(cellgrid *CG, reccon *rcinp, coord *crd); void DestroyRecCon(reccon *rcinp, cellgrid *CG); void DestroyAdvancedRecCon(reccon *rcinp, cellgrid *CG); #endif