ML AFILT2: Difference between revisions

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 $\eta _{l,a_{\mathrm {FILT} }}={\frac {1}{1+a_{\mathrm {FILT} }[l(l+1)]^{2}}}$ . The tag ML_FF_AFILT2_MB sets the parameter $a_{\mathrm {FILT} }$ .

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

Examples that use this tag

[boyd:book:2000-1] J. P. Boyd, Chebyshev and Fourier Spectral Methods (Dover Publications, New York, 2000).

[1]

@@ Line 1: / Line 1: @@
 {{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 ==
+{{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}}
 ----
-[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
+[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]