ML_RDES_SPARSDES
ML_RDES_SPARSDES = [real]
Default: ML_RDES_SPARSDES = 0.5
Description: Sets the ratio of descriptors kept during angular-descriptor sparsification.
| Mind: This tag is only available as of VASP 6.4.3. |
During angular-descriptor sparsification (ML_LSPARSDES=T), insignificant angular descriptors are removed based on a leverage scoring. The percentage of angular descriptors that are kept is determined by the value of ML_RDES_SPARSDES, which must be chosen between . In practice, we recommend scanning a range between 0.1 to 0.9. Removing angular descriptors increases the performance of a force field, but it decreases accuracy at the same time. One method of finding the optimal tradeoff between accuracy and performance is to do a Pareto front with run time on the x-axis and accuracy on the y-axis.