ML AFILT2: Difference between revisions

Revision as of 07:11, 23 August 2021

ML_AFILT2 = [real]
Default: ML_AFILT2 = 0.002

Description: This tag sets the filtering parameter for the angular filtering for ML_IAFILT2 in the machine learning force field method.

This tag is only used if ML_LAFILT2=.TRUE. and ML_IAFILT2=2 are used.

The angular filtering function^[1] for ML_IAFILT2=2 is described as $\eta_{l,a_{\mathrm{FILT}}}=\frac{1}{1+a_{\mathrm{FILT}} [l (l+1)]^{2}}$ . The tag ML_AFILT2 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_LMLFF,ML_LAFILT2,ML_IAFILT2

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}}
+{{TAGDEF|ML_AFILT2|[real]|0.002}}
-Description: This tag sets the filtering parameter for the angular filtering for {{TAG|ML_FF_IAFILT2_MB}} in the machine learning force field method.
+Description: This tag sets the filtering parameter for the angular filtering for {{TAG|ML_IAFILT2}} 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.
+This tag is only used if {{TAG|ML_LAFILT2}}=''.TRUE.'' and {{TAG|ML_IAFILT2}}=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>.
+The angular filtering function{{cite|boyd:book:2000}} for {{TAG|ML_IAFILT2}}=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_AFILT2}} sets the parameter <math>a_{\mathrm{FILT}}</math>.
 == References ==
@@ Line 12: / Line 12: @@
 == Related Tags and Sections ==
-{{TAG|ML_FF_LMLFF}},{{TAG|ML_FF_LAFILT2_MB}},{{TAG|ML_FF_IAFILT2_MB}}
+{{TAG|ML_LMLFF}},{{TAG|ML_LAFILT2}},{{TAG|ML_IAFILT2}}
-{{sc|ML_FF_AFILT2_MB|Examples|Examples that use this tag}}
+{{sc|ML_AFILT2|Examples|Examples that use this tag}}
 ----
 [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]