12 #ifndef COMPUTEEWALD_H 13 #define COMPUTEEWALD_H 17 #include "ComputeMgr.decl.h" 61 float re =
r*d.
r -
i*d.
i;
62 float im =
r*d.
i +
i*d.
r;
101 int pressureProfileSlabs;
102 int pressureProfileAtomTypes;
103 float pressureProfileMin, pressureProfileThickness;
104 float *pressureProfileData;
107 int kxmax, kymax, kzmax;
120 float *expx, *expy, *expz;
126 int *gridsForAtomType;
134 void compute_structurefactor(
float *);
138 void computePprofile(
const float *eik)
const;
void recvData(ComputeEwaldMsg *)
void recvResults(ComputeEwaldMsg *)
int getMasterNode() const
ComputeEwald(ComputeID, ComputeMgr *)
floatcomplex & operator*=(const floatcomplex &d)
floatcomplex & operator*=(const float &c)
floatcomplex(float a, float b)
floatcomplex & operator+=(const floatcomplex &d)
floatcomplex star() const
floatcomplex & operator=(const float &c)