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  • Chemical potentials control

Chemical potentials control · Changes

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Update Chemical potentials control authored Dec 14, 2020 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Chemical-potentials-control.md
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......@@ -15,4 +15,20 @@ Chemical potentials are adjusted according to rule:
```
# Fixed chemical potential mode
TODO
\ No newline at end of file
In order to execute calculations for fixed chemical potential you need to set in *input* file:
```bash
muchange 0.0 # do not change chemical potential
npartconveps 1.0e+9 # ignore checking of particle number convergence criteria
```
In addition, you need to set the value of chemical potentials. For this use `process_params` function in [problem-definition.h](https://gitlab.fizyka.pw.edu.pl/gabrielw/wslda/-/blob/public/st-project-template/problem-definition.h)
```c
void process_params(double *params, double *kF, double *mu, size_t extra_data_size, void *extra_data)
{
// hard set of chemical potentials
mu[SPINA] = YOUR_VALUE; // <-- you can promote it as user-defined parameter
mu[SPINB] = YOUR_VALUE; // <-- you can promote it as user-defined parameter
// ...
}
```
\ No newline at end of file
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