int main(void) {
double theMesh[2*32*32*32];
double Charge1 = 1.0, Charge2 = 1.0;
double Position1[3] = {0.0, 0.0, 0.0};
double Position2[3] = {0.0, 0.0, 0.0};
double caDings[2*7*7*7];
int caind[2*3], i,j,k;
double theForce, totalCharge=0.0;
int MM = 31;
Mesh = 32;
cao = 7;
ip = cao - 1;
Len = 32.0;
ca_ind[0] = caind;
cf[0] = caDings;
Interpolationspolynom_berechnen(ip);
for(i=0.0;i<11;i++) {
bzero(theMesh, 32*32*32*2*sizeof(double));
Position1[0] = -0.5 + i*0.1;
Position2[0] = 0.5 + i*0.1;
if(Position1[0] < 0.0)
Position1[0] += Len;
if(Position2[0] < 0.0)
Position2[0] += Len;
assign_charge(0, 1.0, Position1, theMesh, 0);
assign_charge(1, -1.0, Position2, theMesh, 0);
printf("%lf %lf %lf %e %lf\n", -0.5 + i*0.1, theMesh[c_ind(0,0,0)], theMesh[c_ind(31,0,0)], theMesh[c_ind(30,30,30)], LadInt[1][(int)(-0.5*i/(2.0*MaxInterpol))]);
}
return 0;
}
//---------------------------------------------------------------------
std::vector<int> getCInd(int const nBF, int const nD)
{
std::vector<int> c_ind(nBF);
for(int i=0; i<nBF;i++)
c_ind[i]=nD*(2+nBF)+i*2+1;
return c_ind;
}
void P3M_ad( system_t *s, parameters_t *p, data_t *d, forces_t *f )
{
/* Loop counters */
int i, j, k, c_index;
/* Helper variables */
FLOAT_TYPE T1;
FLOAT_TYPE Leni = 1.0/s->length;
int Mesh = p->mesh;
memset(d->Qmesh, 0, 2*Mesh*Mesh*Mesh * sizeof(FLOAT_TYPE));
TIMING_START_C
/* chargeassignment */
assign_charge_and_derivatives( s, p, d, 0);
TIMING_STOP_C
TIMING_START_G
/* Forward Fast Fourier Transform */
forward_fft(d);
for (i=0; i<Mesh; i++)
for (j=0; j<Mesh; j++)
for (k=0; k<Mesh; k++)
{
c_index = c_ind(i,j,k);
T1 = d->G_hat[r_ind(i,j,k)];
d->Qmesh[c_index] *= T1;
d->Qmesh[c_index+1] *= T1;
}
/* Backward FFT */
backward_fft(d);
TIMING_STOP_G
TIMING_START_F
/* Force assignment */
assign_forces_ad( Mesh * Leni * Leni * Leni , s, p, d, f, 0 );
#ifdef P3M_AD_SELF_FORCES
Substract_self_forces(s,p,d,f);
#endif
TIMING_STOP_F
return;
}
void P3M_ik_i( system_t *s, parameters_t *p, data_t *d, forces_t *f )
{
/* Zaehlvariablen: */
int i, j, k, l;
/* Schnelles Modulo: */
FLOAT_TYPE T1;
FLOAT_TYPE Mesh = p->mesh;
FLOAT_TYPE Leni = 1.0/s->length;
FLOAT_TYPE dop;
int c_index;
/* Initialisieren von Qmesh */
memset ( d->Qmesh, 0, 2*Mesh*Mesh*Mesh*sizeof ( FLOAT_TYPE ) );
TIMING_START_C
/* chargeassignment */
assign_charge( s, p, d, 0 );
assign_charge( s, p, d, 1 );
TIMING_STOP_C
/* assign_charge_interlacing( s, p, d ); */
TIMING_START_G
/* Durchfuehren der Fourier-Hin-Transformationen: */
forward_fft(d);
for (i=0; i<Mesh; i++)
for (j=0; j<Mesh; j++)
for (k=0; k<Mesh; k++)
{
c_index = c_ind(i,j,k);
T1 = d->G_hat[r_ind(i,j,k)];
d->Qmesh[c_index] *= T1;
d->Qmesh[c_index+1] *= T1;
for (l=0;l<3;l++) {
switch ( l ) {
case 0:
dop = d->Dn[i];
break;
case 1:
dop = d->Dn[j];
break;
case 2:
dop = d->Dn[k];
break;
}
d->Fmesh->fields[l][c_index] = -2.0*PI*Leni*dop*d->Qmesh[c_index+1];
d->Fmesh->fields[l][c_index+1] = 2.0*PI*Leni*dop*d->Qmesh[c_index];
}
}
/* Durchfuehren der Fourier-Rueck-Transformation: */
backward_fft(d);
TIMING_STOP_G
TIMING_START_F
/* force assignment */
/* assign_forces ( 1.0 / ( 2.0*s->length*s->length*s->length ), s, p, d, f, 0 ); */
/* assign_forces ( 1.0 / ( 2.0*s->length*s->length*s->length ), s, p, d, f, 1 ); */
assign_forces_interlacing ( 1.0 / ( 2.0*s->length*s->length*s->length ), s, p, d, f );
TIMING_STOP_F
return;
}
