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Difference between revisions of "ML FF IBROAD2 MB"
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{{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}} | {{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}} | ||
| − | Description: | + | Description: This tag determines how the atomic distribution is broadened for the angular descriptor within the machine learning force field method. |
---- | ---- | ||
| − | + | The following cases are possible: | |
| + | *{{TAG|ML_FF_IBROAD2_MB}}=1: No broadening. | ||
| + | *{{TAG|ML_FF_IBROAD2_MB}}=2: Element-independent user specified broadening (by using the tag {{TAG|ML_FF_SION2_MB}}). | ||
| + | *{{TAG|ML_FF_IBROAD2_MB}}=3: Element-dependent user specified broadening (by using the tag {{TAG|ML_FF_SION2_MB}}). | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
| − | {{TAG|ML_FF_LMLFF}}, {{TAG| | + | {{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_SION1_MB}}, {{TAG|ML_FF_SION2_MB}}, {{TAG|ML_FF_IBROAD1_MB}} |
{{sc|ML_FF_IBROAD2_MB|Examples|Examples that use this tag}} | {{sc|ML_FF_IBROAD2_MB|Examples|Examples that use this tag}} | ||
Revision as of 07:42, 21 May 2019
ML_FF_IBROAD2_MB = [integer]
Default: ML_FF_IBROAD2_MB = 2
Description: This tag determines how the atomic distribution is broadened for the angular descriptor within the machine learning force field method.
The following cases are possible:
- ML_FF_IBROAD2_MB=1: No broadening.
- ML_FF_IBROAD2_MB=2: Element-independent user specified broadening (by using the tag ML_FF_SION2_MB).
- ML_FF_IBROAD2_MB=3: Element-dependent user specified broadening (by using the tag ML_FF_SION2_MB).
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SION1_MB, ML_FF_SION2_MB, ML_FF_IBROAD1_MB
