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  • Strict 2D or 1D mode

Strict 2D or 1D mode · Changes

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Update Strict 2D or 1D mode authored Feb 19, 2026 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Strict-2D-or-1D-mode.md
View page @ 30335a71
...@@ -51,14 +51,16 @@ void modify_potentials(int it, wslda_density h_densities, wslda_potential h_pote ...@@ -51,14 +51,16 @@ void modify_potentials(int it, wslda_density h_densities, wslda_potential h_pote
// params0 -> effective coupling strength // params0 -> effective coupling strength
// you can also access tags from the input file, like input->sclgth here // you can also access tags from the input file, like input->sclgth here
// other global variables: dc_mu_a, dc_mu_b, dc_ec
ixyz=0; ixyz=0;
for(ix=0; ix<lNX; ix++) for(iy=0; iy<lNY; iy++) for(iz=0; iz<lNZ; iz++) for(ix=0; ix<lNX; ix++) for(iy=0; iy<lNY; iy++) for(iz=0; iz<lNZ; iz++)
{ {
// ...
h_potentials.delta[ixyz] = -1.0*params[0]*h_densities.nu[ixyz]; h_potentials.delta[ixyz] = -1.0*params[0]*h_densities.nu[ixyz];
... // ...
ixyz++; ixyz++;
} }
} }
``` ```
...@@ -113,3 +115,12 @@ __global__ void modify_potentials(int it, wslda_density h_densities, wslda_poten ...@@ -113,3 +115,12 @@ __global__ void modify_potentials(int it, wslda_density h_densities, wslda_poten
} }
#include "tdwslda_functionals_framework_disable.h" // DO NOT REMOVE! #include "tdwslda_functionals_framework_disable.h" // DO NOT REMOVE!
``` ```
Note, you need to activate `modify_potentials(...)` in `predefines.h`
```c
#define ENABLE_V_EXT
// ...
// #define ENABLE_MODIFY_DENSITIES
#define ENABLE_MODIFY_POTENTIALS
// #define ENABLE_MODIFY_ENERGIES
// ...
```
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W-BSK Toolkit