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Showing results for ml ff lmlff. No results found for ML FF LMLMB.
- ML_IALGO_LINREG, ML_IWEIGHT, ML_ICRITERIA, ML_IREG, ML_LSPARSDES, ML_ISCALE_TOTEN, ML_LCOUPLE, ML_LHEAT, ML_LEATOM, ML_MB, ML_MCONF Examples that use this tag...1 KB (151 words) - 14:46, 19 October 2023
- principles calculations. ML_LMLFF, ML_ICRITERIA, ML_SCLC_CTIFOR , ML_MHIS, ML_CSIG, ML_CSLOPE, ML_CDOUB, ML_CX, ML_NMDINT, ML_MCONF_NEW Examples that use...2 KB (218 words) - 06:46, 13 October 2023
- with run time on the x-axis and accuracy on the y-axis. ML_LMLFF, ML_LSPARSDES, ML_NRANK_SPARSDES, ML_DESC_TYPE Examples that use this tag...1 KB (144 words) - 14:01, 20 March 2024
- ML_DESC_TYPE=1 results in noticeable accuracy loss. ML_LMLFF, ML_RDES_SPARSDES, ML_NRANK_SPARSDES, ML_DESC_TYPE Examples that use this tag...2 KB (235 words) - 14:00, 20 March 2024
- This is particularly relevant if the ML_AB file is large. Examples that use this tag ML_LMLFF, ML_MCONF, ML_CTIFOR, ML_CDOUB...1 KB (101 words) - 15:32, 19 October 2023
- inversely proportional to the number of used cores. ML_LMLFF, ML_MODE, ML_MCONF_NEW, ML_MCONF, ML_LBASIS_DISCARD Examples that use this tag...3 KB (479 words) - 17:11, 15 February 2024
- influence the memory demand, e.g. ML_MB or ML_MRB2. A continuation or prediction run, i.e., ML_MODE = train with ML_AB present or ML_MODE = run, may also take...21 KB (2,342 words) - 15:01, 19 October 2023
- choose ML_EPS_LOW for accurate force fields is given here. On the theory of the sparsification of local reference configurations see here. ML_LMLFF, ML_MB...2 KB (181 words) - 11:42, 15 May 2023
- only structures after re-training are considered). ML_LMLFF, ML_ICRITERIA, ML_CTIFOR, ML_CX, ML_CSLOPE, ML_CSIG Examples that use this tag...2 KB (219 words) - 09:49, 8 November 2023
- ML_ISTART, ML_LFAST, ML_IERR, ML_OUTBLOCK, ML_OUTPUT_MODE, ML_IALGO_LINREG, ML_MCONF_NEW, ML_CDOUB, ML_CTIFOR, ML_IERR...9 KB (987 words) - 22:21, 19 October 2023
- The same number is used for all l {\displaystyle l} . ML_LMLFF, ML_LMAX2, ML_MRB1, ML_W1, ML_RCUT2, ML_SION2 Examples that use this tag...2 KB (424 words) - 11:56, 31 March 2023
- more details). The unit of ML_SION1 is Å {\displaystyle \mathrm {\AA} } . ML_LMLFF, ML_SION2, ML_RCUT1, ML_RCUT2, ML_MRB1, ML_MRB2 Examples that use this...2 KB (262 words) - 13:31, 8 April 2022
- is below the minimum amount of sampled structures ML_NMDINT). ML_LMLFF, ML_MCONF_NEW, ML_CTIFOR, ML_NMDINT Examples that use this tag...1,007 bytes (100 words) - 14:37, 19 October 2023
- details on how to use the sparsification see the tag ML_LSPARSDES. ML_LMLFF, ML_LSPARSDES, ML_RDES_SPARSDES, ML_DESC_TYPE Examples that use this tag...862 bytes (87 words) - 14:01, 20 March 2024
- cut-off radius is Å {\displaystyle \mathrm {\AA} } . ML_LMLFF, ML_RCUT2, ML_W1, ML_SION1, ML_SION2, ML_MRB1, ML_MRB2 Examples that use this tag...2 KB (268 words) - 06:34, 11 May 2023
- tag ML_MRB1 sets the number N R 0 {\displaystyle N_{\text{R}}^{0}} of radial basis functions to use in this expansion. ML_LMLFF, ML_MRB2, ML_W1, ML_RCUT1...1 KB (283 words) - 08:06, 9 May 2023
- {\displaystyle \mathrm {\AA} } can improve the accuracy, ML_LMLFF, ML_RCUT1, ML_W1, ML_SION1, ML_SION2, ML_MRB1, ML_MRB2 Examples that use this tag...2 KB (378 words) - 13:35, 9 May 2023
- The defaults for ML_MCONF are different for each different ML_MODE setting. Here are the defaults for each mode: ML_MODE='TRAIN': No ML_AB present (learning...2 KB (291 words) - 09:22, 28 April 2023
- ML_CTIFOR can take place. ML_LMLFF, ML_ICRITERIA, ML_CSIG, ML_MHIS, ML_CX Examples that use this tag...915 bytes (106 words) - 13:21, 8 April 2022
- means that the tags ML_CTIFOR, ML_CX, ML_CSLOPE, ML_CSIG and ML_MHIS set in INCAR are ignored. This mode is only available when ML_MODE=SELECT is activated...5 KB (696 words) - 09:09, 14 April 2023