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# Introduction
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Within W-SLDA Toolkit we provide a script for generating custom SLDA functional: `extensions/sldae/sldae-dev-tool.c`
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Within the W-SLDA Toolkit, we provide a script for generating a custom SLDA functional: `extensions/sldae/sldae-dev-tool.c`
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Within the script user can provide its own formulas for:
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Within the script user can provide their own formulas for:
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```c
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double ground_state_energy (int dn, double _x, int id []);
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double chemical_potential (int dn, double _x, int id []);
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| ... | ... | @@ -10,10 +10,10 @@ double inverse_effective_mass (int dn, double _x, int id []); |
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double pairing_gap (int dn, double _x, int id []);
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```
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In return, the script generates a source file readable by W-SLDA Engine. Once the functional is created, it becomes available for all code within the toolkit.
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In return, the script generates a source file readable by the W-SLDA Engine. Once the functional is created, it becomes available for all code within the toolkit.
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# Example: SLDAE with the effective mass equal 1
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# Example: SLDAE with the effective mass equal to 1
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The function for the computation of the effective mass has been modified to:
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```c
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| ... | ... | @@ -84,7 +84,7 @@ Parameters written to: sldae_parameters.h |
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Creating file: sldae_parameters.txt
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```
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Once the functional is generated user should inspect content of file `sldae_parameters.txt`. It contains following columns:
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Once the functional is generated, the user should inspect the content of the file `sldae_parameters.txt`. It contains the following columns:
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``` bash
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# 1: lambda=a*k_F
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# 2: ground_state_energy
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| ... | ... | @@ -100,7 +100,7 @@ Once the functional is generated user should inspect content of file `sldae_para |
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#12: c_functional
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#13: c_functional - PADE
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```
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In particular, it is important to confirm that PADE approximants correctly reproduce functions generated by analytical formulas. Note that W-SLDA Engine uses Pade approximants to deliver the highest performance.
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In particular, it is important to confirm that PADE approximants correctly reproduce functions generated by analytical formulas. Note that the W-SLDA Engine uses Pade approximants to deliver the highest performance.
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```bash
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[gabrielw@dell sldae]$ gnuplot
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gnuplot> plot "sldae_parameters.txt" u 1:6 w l, "" u 1:7 w l
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| ... | ... | @@ -108,10 +108,10 @@ gnuplot> plot "sldae_parameters.txt" u 1:6 w l, "" u 1:7 w l |
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```
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Finally, file `sldae_parameters.h` should be moved to folder `hpc-engine`. From now new SLDAE functional will be used when `FUNCTIONAL=SLDAE` is selected in predefines.
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Finally, file `sldae_parameters.h` should be moved to folder `hpc-engine`. From now on, the new SLDAE functional will be used when `FUNCTIONAL=SLDAE` is selected in predefines.
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# Collection of own SLDAE-like functionals
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The information about PADE approximants for functional coefficients loded to the engine through the file `hpc-engine\sldae_functional.h`, precisely:
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The information about PADE approximants for functional coefficients loaded to the engine through the file `hpc-engine\sldae_functional.h`, precisely:
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```c
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// Select coefficients
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#ifdef SLDAE_FORCE_A1
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| ... | ... | @@ -121,5 +121,5 @@ The information about PADE approximants for functional coefficients loded to the |
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#include "sldae_parameters.h"
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#endif
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```
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User can modify this section to form that uploads a correct file with the desired set of coefficients.
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The user can modify this section to upload a correct file with the desired set of coefficients.
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