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[[_TOC_]]
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# Custom parameters
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# Custom parameters
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The W-SLDA toolkit provides a framework for creating flexible parametrization of formulas. The list of numbers (of double type) that can be passed from an input file to the code is called *custom parameters*. In the input file they start with the tag:
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The W-SLDA toolkit provides a framework for creating flexible parametrization of formulas. The list of numbers (of double type) that can be passed from an input file to the code is called *custom parameters*. In the input file, they start with the tag:
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```bash
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```bash
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# Custom parameters
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# Custom parameters
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params0 0.0 # value of the params[0], simple syntax
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params0 0.0 # value of the params[0], simple syntax
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| ... | @@ -14,10 +16,10 @@ strings[2] = "ccc"; # (global) variable strings[2], C style |
... | @@ -14,10 +16,10 @@ strings[2] = "ccc"; # (global) variable strings[2], C style |
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```
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```
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The maximal number of parameters is specified in `predefines.h` by macro-variable:
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The maximal number of parameters is specified in `predefines.h` by macro-variable:
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```c
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```c
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// Maximal number of parameters in params array
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// Maximal number of parameters in the params array
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#define MAX_USER_PARAMS 32
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#define MAX_USER_PARAMS 32
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```
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```
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When the program reads the input file, custom parameters are uploaded into `params` array in a such way that *paramsk* is assigned to `params[k]`. The pointer to the array is passed to each user-defined function, for example:
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When the program reads the input file, custom parameters are uploaded into the `params` array. The pointer to the array is passed to each user-defined function, for example:
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```c
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```c
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double v_ext(int ix, int iy, int iz, int it, int spin, double *params, size_t extra_data_size, void *extra_data)
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double v_ext(int ix, int iy, int iz, int it, int spin, double *params, size_t extra_data_size, void *extra_data)
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{
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{
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| ... | @@ -28,30 +30,35 @@ double v_ext(int ix, int iy, int iz, int it, int spin, double *params, size_t ex |
... | @@ -28,30 +30,35 @@ double v_ext(int ix, int iy, int iz, int it, int spin, double *params, size_t ex |
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}
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}
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```
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```
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During the self-iteration process, before `params` array is passed to user-defined functions the array can be processed by the function:
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During the self-iteration process, before the `params` array is passed to user-defined functions, the array can be processed by the function:
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```c
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```c
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/**
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/**
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* THIS FUNCTION IS CALLED DURING THE SELF-CONSISTENT PROCESS.
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* THIS FUNCTION IS CALLED DURING THE SELF-CONSISTENT PROCESS.
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* After loading params array from input file, the parameters are processed by this routine.
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* After loading the params array from the input file, the parameters are processed by this routine.
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* The routine is executed at the beginning of each iteration.
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* The routine is executed at the beginning of each iteration.
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* @param params array of size MAX_USER_PARAMS with parameters from input file.
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* @param params array of size MAX_USER_PARAMS with parameters from input file.
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* @param kF typical Fermi momentum scale of the problem.
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* @param kF typical Fermi momentum scale of the problem.
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* kF=referencekF if the referencekF tag is indicated in the input file,
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* kF=referencekF if the referencekF tag is indicated in the input file,
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* otherwise to kF value is assigned according to formula kF=(3*pi^2*n)^{1/3}, where n corresponds to maximal density.
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* kF=referencekF(...) otherwise.
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* You can also set kF at request in this function using (*kF)=myvalue;
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* You can also set kF at request in this function using (*kF)=myvalue;
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* @param mu array with chemical potentials: mu[SPINA] and mu[SPINB].
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* @param mu array with chemical potentials: mu[SPINA] and mu[SPINB].
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* @param extra_data_size size of extra_data in bytes, if extra_data size=0 the optional data is not uploaded
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* @param extra_data_size size of extra_data in bytes, if extra_data size=0 the optional data is not uploaded
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* @param extra_data optional set of data uploaded by load_extra_data()
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* @param extra_data optional set of data uploaded by load_extra_data()
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* For more info, see: Wiki-> User-defined parameters
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* */
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* */
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void process_params(double *params, double *kF, double *mu, size_t extra_data_size, void *extra_data)
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void process_params(double *params, double *kF, double *mu, size_t extra_data_size, void *extra_data)
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{
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{
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// PROCESS INPUT FILE PARAMETERS
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// if akF is active, then overwrite the value of input->sclgth
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// value of kF is generated by the function referencekF(...)
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if(input->akF!=0.0) input->sclgth = input->akF/kF[0];
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// PROCESS INPUT FILE PARAMETERS
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// ... add here your code ...
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}
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}
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```
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```
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Usage of `process_params( )` allows for parametrization of user-defined functions in terms of dimensionless values, which are typically more intuitive. For example:
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Using `process_params( )` allows parametrization of user-defined functions in terms of dimensionless values, which are typically more intuitive. For example:
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```bash
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```bash
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params2 2.0 # barrier height, in units of chemical potential mu_a
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params[2] = 2.0 # barrier height, in units of chemical potential mu_a
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```
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```
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and `process_params( )` converts *params2* into dimensional quantity
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and `process_params( )` converts *params2* into dimensional quantity
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```c
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```c
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| ... | @@ -62,7 +69,7 @@ void process_params(double *params, double *kF, double *mu, size_t extra_data_si |
... | @@ -62,7 +69,7 @@ void process_params(double *params, double *kF, double *mu, size_t extra_data_si |
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```
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```
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# Passing external data to user-defined functions
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# Passing external data to user-defined functions
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To each user-defined function, arbitrary external data can be passed called *extra data*. The extra data is uploading before the self-consistent starts. In order to activate this option user must provide content of functions:
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To each user-defined function, arbitrary external data can be passed, called *extra data*. The extra data is being uploaded before calculations start. In order to activate this option user must provide the content of the functions:
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```c
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```c
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/**
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/**
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* This function provides size of extra_data array, in bytes.
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* This function provides size of extra_data array, in bytes.
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| ... | @@ -80,13 +87,13 @@ size_t get_extra_data_size(double *params) |
... | @@ -80,13 +87,13 @@ size_t get_extra_data_size(double *params) |
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and
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and
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```c
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```c
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/**
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/**
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* This function loads data into extra_data array.
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* This function loads data into the extra_data array.
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* This function is thread-safe.
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* This function is thread-safe.
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* @param size size of array computed using function get_extra_data_size()
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* @param size size of array computed using function get_extra_data_size()
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* @param extra_data pointer to array that should be filled with data
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* @param extra_data pointer to an array that should be filled with data
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* @param params with input file parameters.
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* @param params with input file parameters.
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* NOTE: the array contains bare input file values, not processed by process_params()!
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* NOTE: the array contains bare input file values, not processed by process_params()!
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* @return 0 if load is successful, otherwise return error code. If nonzero value is returned the main code will terminate.
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* @return 0 if load is successful, otherwise return error code. If a nonzero value is returned, the main code will terminate.
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* */
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* */
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int load_extra_data(size_t size, void *extra_data, double *params)
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int load_extra_data(size_t size, void *extra_data, double *params)
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{
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{
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| ... | @@ -98,7 +105,7 @@ int load_extra_data(size_t size, void *extra_data, double *params) |
... | @@ -98,7 +105,7 @@ int load_extra_data(size_t size, void *extra_data, double *params) |
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```
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```
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# Predefined variables
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# Predefined variables
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Each variable defined in `predefines.h` is accessible over entire file `problem-definition.h`. User can defined new variable in `predefines.h`, like
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Each variable defined in `predefines.h` is accessible over the entire file `problem-definition.h`. The user can define a new variable in `predefines.h`, like
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```c
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```c
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#define MYVALUE 10.0;
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#define MYVALUE 10.0;
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```
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```
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