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For reporting basic quantities (like particle number, energy, etc) W-SLDA code used `wlog` file. It is txt file produced by function `int logger( )` from [logger.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/blob/public/st-project-template/logger.h) file. This file can be modified by the user depending on a specifics of a given problem.
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[[_TOC_]]
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# Example
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In addition to defined by default variables, the user needs to print out variable:
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# Customizing wlog file
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For reporting basic quantities (like particle number, energy, etc) W-SLDA code uses `wlog` file. It is a txt file produced by the function `int logger( )` from [logger.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/blob/public/st-project-template/logger.h) file. The user can modify this file depending on the specifics of a given problem.
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## Example
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Suppose that in addition to defined by default variables, the user needs to print out a new variable:
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```math
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\Delta_{\textrm{avg}}(t) = \dfrac{\int |\Delta(\bm{r},t)|(n_a(\bm{r},t)+n_b(\bm{r},t))\,d\bm{r}}{\int (n_a(\bm{r},t)+n_b(\bm{r},t))\,d\bm{r}}
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```
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which is (weighted) average value of delta. This can be done by adding to `logger(..)`:
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In the first step, we define the new variable
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```c
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int add_custom_variable_to_wdata_metadata(wdata_metadata *wdmd,
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double *params, size_t extra_data_size, void *extra_data)
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{
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// To add a variable use this template
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// var_name type unit
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wdata_variable var1 = {"E_flow", "real", "none", "wdat"}; // scalar variable
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wdata_add_variable(wdmd, &var1);
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return 0;
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}
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```
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which is (weighted) average value of the delta. This can be done by adding to `logger(..)`:
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```c
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int ixyz;
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int lNXYZ = h_potentials.blocklength;
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... | ... | @@ -14,7 +30,7 @@ for(ixyz=0; ixyz<lNXYZ; ixyz++) delta_avg+=cabs(h_potentials.delta[ixyz])*(h_den |
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for(ixyz=0; ixyz<lNXYZ; ixyz++) Ntot+=h_densities.rho_a[ixyz]+h_densities.rho_b[ixyz];
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delta_avg /= Ntot;
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```
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and supplementing `printf` statement appropriate entry, like:
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and supplementing `printf` statement with appropriate entry, like:
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```c
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// add entry
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fprintf(log, "%6d %18.10g %18.10g
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... | ... | @@ -47,3 +63,66 @@ and supplementing `printf` statement appropriate entry, like: |
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);
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```
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# Customizing wdata files
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**Functionality introduced with API_VERSION>=20231218**
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The logger allows also to define new variables of results [W-data set](https://gitlab.fizyka.pw.edu.pl/wtools/wdata). It is done in two steps:
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1. Adding a definition of a new variable via `add_custom_variable_to_wdata_metadata` function.
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2. Adding a body of function `write_custom_variable_to_wdata_set` that creates and writes the new variable to wdata set.
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## Example
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To demonstrate the functionality of extending wdata set by new variables, let us add new variable which is density of the flow energy
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```math
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E_{flow}(\bm{r}) = \frac{\bm{j}_a^2(\bm{r})}{2n_a(\bm{r})} + \frac{\bm{j}_b^2(\bm{r})}{2n_b(\bm{r})}
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```
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In the first step, we define the new variable with the name `E_flow`
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```c
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int add_custom_variable_to_wdata_metadata(wdata_metadata *wdmd,
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double *params, size_t extra_data_size, void *extra_data)
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{
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wdata_variable var1 = {"E_flow", "real", "none", "wdat"}; // scalar variable
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wdata_add_variable(wdmd, &var1);
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return 0;
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}
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```
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Next, we construct the variable and write it to the wdata set
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```c
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int write_custom_variable_to_wdata_set(wdata_metadata *wdmd,
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int it,
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wslda_density h_densities, wslda_potential h_potentials,
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double kF, double *mu,
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double *params, size_t extra_data_size, void *extra_data)
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{
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// DETERMINE LOCAL SIZES OF ARRAYS (CODE DIMENSIONALITY DEPENDENT)
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int lNX=h_densities.nx, lNY=h_densities.ny, lNZ=h_densities.nz; // local sizes
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int ix, iy, iz, ixyz;
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double *E_flow = (double *)malloc(lNX*lNY*lNZ*sizeof(double)); // allocate memory for the variable
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// ITERATE OVER ALL POINTS
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ixyz=0;
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for(ix=0; ix<lNX; ix++) for(iy=0; iy<lNY; iy++) for(iz=0; iz<lNZ; iz++)
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{
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double x = DX*(ix-lNX/2);
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double y = DY*(iy-lNY/2); // for 1d code y will be always 0
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double z = DZ*(iz-lNZ/2); // for 1d and 2d codes z will be always 0
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// construst the variable
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double ja2 = pow(h_densities.j_a_x[ixyz],2) + pow(h_densities.j_a_y[ixyz],2) + pow(h_densities.j_a_z[ixyz],2);
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double jb2 = pow(h_densities.j_b_x[ixyz],2) + pow(h_densities.j_b_y[ixyz],2) + pow(h_densities.j_b_z[ixyz],2);
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E_flow[ixyz] = ja2 / (2.*h_densities.rho_a[ixyz]) + jb2 / (2.*h_densities.rho_b[ixyz]);
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ixyz++; // go to the next point, it should be the last line of the triple loop
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}
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// to add variable to binary file use this function
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wdata_write_cycle(wdmd, "E_flow", E_flow);
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free(E_flow); // clear memory
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return 0;
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}
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``` |
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\ No newline at end of file |