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Difference between revisions of "ML FF ISOAP1 MB"
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{{TAGDEF|ML_FF_ISOAP1_MB|[integer]|1}} | {{TAGDEF|ML_FF_ISOAP1_MB|[integer]|1}} | ||
| − | Description: | + | Description: This tag defines the type of the SOAP kernel for the radial descriptor in the machine learning force field method. |
---- | ---- | ||
| + | |||
| + | |||
| + | The following cases are possible: | ||
| + | *{{TAG|ML_FF_ISOAP1_MB}}=1: The Full definition of the radial descriptor is used. | ||
| + | *{{TAG|ML_FF_ISOAP1_MB}}=2: Diagonal approximation of the radial descriptor is used. | ||
| + | *{{TAG|ML_FF_ISOAP1_MB}}=3: Reduced definition of the radial descriptor is used. | ||
| + | *{{TAG|ML_FF_ISOAP1_MB}}=4: Diagonal definition of the radial mesh within the radial descriptor is used. | ||
| + | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
| − | + | {{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_ISOAP2_MB}} | |
| − | |||
{{sc|ML_FF_ISOAP1_MB|Examples|Examples that use this tag}} | {{sc|ML_FF_ISOAP1_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 15:17, 29 February 2020
ML_FF_ISOAP1_MB = [integer]
Default: ML_FF_ISOAP1_MB = 1
Description: This tag defines the type of the SOAP kernel for the radial descriptor in the machine learning force field method.
The following cases are possible:
- ML_FF_ISOAP1_MB=1: The Full definition of the radial descriptor is used.
- ML_FF_ISOAP1_MB=2: Diagonal approximation of the radial descriptor is used.
- ML_FF_ISOAP1_MB=3: Reduced definition of the radial descriptor is used.
- ML_FF_ISOAP1_MB=4: Diagonal definition of the radial mesh within the radial descriptor is used.
