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Computation domain · Changes

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Update Computation domain authored Jun 03, 2021 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Computation-domain.md
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......@@ -79,3 +79,25 @@ int ixyz = iz + lNZ*iy + lNZ*lNY*ix;
h_densities.density_a[ixyz]; // value of density in center of the box
```
#Iterating over lattice points
The following scheme is used to iterate over lattice points.
```c
int lNX=h_densities.nx, lNY=h_densities.ny, lNZ=h_densities.nz; // local sizes
// or ...
// int lNX=NX, lNY=NY, lNZ=NZ;
int ix, iy, iz, ixyz;
// ITERATE OVER ALL POINTS
ixyz=0;
for(ix=0; ix<lNX; ix++) for(iy=0; iy<lNY; iy++) for(iz=0; iz<lNZ; iz++)
{
double x = DX*(ix-lNX/2);
double y = DY*(iy-lNY/2); // for 1d code y will be always 0
double z = DZ*(iz-lNZ/2); // for 1d and 2d codes z will be always 0
// ... compute something for coordinate (x,y,z) ....
// rho_a[ixyz]=...;
ixyz++; // go to the next point, it should be the last line of the triple loop
}
```
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  • API version
  • Automatic interpolations
  • Auxiliary tools
  • Browsing the code
  • Broyden algorithm
  • C and CUDA
  • Campaign of calculations
  • Checking correctness of settings
  • Chemical potentials control
  • Code & Results quality
  • Common failures of static codes
  • Common failures of time dependent codes
  • Computation domain
  • Configuring GPU machine
  • Constraining densities and potentials
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