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Difference between revisions of "ML FF AFILT2 MB"
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{{TAGDEF|ML_FF_AFILT2_MB|[real]|0.002}} | {{TAGDEF|ML_FF_AFILT2_MB|[real]|0.002}} | ||
| − | Description: | + | Description: This tag sets the filtering parameter for the angular filtering for {{TAG|ML_FF_IAFILT2_MB}} in the machine learning force field method. |
---- | ---- | ||
| + | This tag is only used if {{TAG|ML_FF_LAFILT2_MB}}=''.TRUE.'' and {{TAG|ML_FF_IAFILT2_MB}}=2 are used. | ||
| + | |||
| + | The angular filtering function{{cite|boyd:book:2000}} for {{TAG|ML_FF_IAFILT2_MB}}=2 is described as <math>\eta_{l,a_{\mathrm{FILT}}}=\frac{1}{1+a_{\mathrm{FILT}} [l (l+1)]^{2}} </math>. The tag {{TAG|ML_FF_AFILT2_MB}} sets the parameter <math>a_{\mathrm{FILT}}</math>. | ||
| + | |||
| + | == References == | ||
| + | <references/> | ||
| + | <noinclude> | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
| + | {{TAG|ML_FF_LMLFF}},{{TAG|ML_FF_LAFILT2_MB}},{{TAG|ML_FF_IAFILT2_MB}} | ||
{{sc|ML_FF_AFILT2_MB|Examples|Examples that use this tag}} | {{sc|ML_FF_AFILT2_MB|Examples|Examples that use this tag}} | ||
---- | ---- | ||
| − | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | + | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] |
Latest revision as of 15:14, 29 February 2020
ML_FF_AFILT2_MB = [real]
Default: ML_FF_AFILT2_MB = 0.002
Description: This tag sets the filtering parameter for the angular filtering for ML_FF_IAFILT2_MB in the machine learning force field method.
This tag is only used if ML_FF_LAFILT2_MB=.TRUE. and ML_FF_IAFILT2_MB=2 are used.
The angular filtering function[1] for ML_FF_IAFILT2_MB=2 is described as . The tag ML_FF_AFILT2_MB sets the parameter .
References
- ↑ [ J. P. Boyd, Chebyshev and Fourier Spectral Methods (Dover Publications, New York, 2000).]
Related Tags and Sections
ML_FF_LMLFF,ML_FF_LAFILT2_MB,ML_FF_IAFILT2_MB
