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#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <time.h>
#include "openmx_common.h"
static void Find_ln(int i0, int n0, int res[2]);
void Find_CGrids(int Real_Position, int n1, int n2, int n3,
double Cxyz[4], int NOC[4])
{
/*********************************************************
Real_Position==0
gives the coordinates in the original cell (Rn==0)
Real_Position==1
gives the coordinates in the translated cell
**********************************************************/
int Rn,l1,l2,l3,N;
int nn1,nn2,nn3,res[2];
double x0,y0,z0;
Find_ln(1,n1,res);
l1 = res[0];
nn1 = res[1];
Find_ln(2,n2,res);
l2 = res[0];
nn2 = res[1];
Find_ln(3,n3,res);
l3 = res[0];
nn3 = res[1];
if (CpyCell<abs(l1) || CpyCell<abs(l2) || CpyCell<abs(l3)){
/* outside of Tcell */
Rn = 0;
x0 = atv[Rn][1];
y0 = atv[Rn][2];
z0 = atv[Rn][3];
Cxyz[1] = 10e+5;
Cxyz[2] = 10e+5;
Cxyz[3] = 10e+5;
}
else{
Rn = R_atv(CpyCell,l1,l2,l3);
x0 = atv[Rn][1];
y0 = atv[Rn][2];
z0 = atv[Rn][3];
/* N = nn1*Ngrid2*Ngrid3 + nn2*Ngrid3 + nn3; */
if (Real_Position==0){
Cxyz[1] = (double)nn1*gtv[1][1] + (double)nn2*gtv[2][1]
+ (double)nn3*gtv[3][1] + Grid_Origin[1];
Cxyz[2] = (double)nn1*gtv[1][2] + (double)nn2*gtv[2][2]
+ (double)nn3*gtv[3][2] + Grid_Origin[2];
Cxyz[3] = (double)nn1*gtv[1][3] + (double)nn2*gtv[2][3]
+ (double)nn3*gtv[3][3] + Grid_Origin[3];
}
else{
Cxyz[1] = x0
+ (double)nn1*gtv[1][1] + (double)nn2*gtv[2][1]
+ (double)nn3*gtv[3][1] + Grid_Origin[1];
Cxyz[2] = y0
+ (double)nn1*gtv[1][2] + (double)nn2*gtv[2][2]
+ (double)nn3*gtv[3][2] + Grid_Origin[2];
Cxyz[3] = z0
+ (double)nn1*gtv[1][3] + (double)nn2*gtv[2][3]
+ (double)nn3*gtv[3][3] + Grid_Origin[3];
}
}
NOC[0] = Rn;
NOC[1] = nn1;
NOC[2] = nn2;
NOC[3] = nn3;
}
void Find_ln(int i0, int n0, int res[2])
{
int l0,n1,N;
if (i0==1) N = Ngrid1;
else if (i0==2) N = Ngrid2;
else if (i0==3) N = Ngrid3;
if (n0<0){
l0 = -((abs(n0)-1)/N + 1);
n1 = N - (abs(n0) - N*(abs(l0)-1));
}
else if (N<=n0){
l0 = n0/N;
n1 = n0 - N*l0;
}
else{
l0 = 0;
n1 = n0;
}
res[0] = l0;
res[1] = n1;
}
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