ML NHYP: Difference between revisions
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[[Category:INCAR tag]][[Category:Machine | [[Category:INCAR tag]][[Category:Machine-learned force fields]] |
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[[Category:INCAR tag]][[Category:Machine | [[Category:INCAR tag]][[Category:Machine-learned force fields]] |
ML_NHYP = [integer]
Default: ML_NHYP = 4
Description: This tag specifies the polynomial power of the kernel within the machine learning force field method (see this section).
The value of ML_NHYP must be an integer number 1.
ML_RCUT1, ML_SION1, ML_RCUT2, ML_SION2