ML ISTART: Difference between revisions
m (Karsai moved page ML FF ISTART to ML ISTART) |
No edit summary |
||
| Line 1: | Line 1: | ||
{{TAGDEF| | {{TAGDEF|ML_ISTART|[integer]|0}} | ||
Description: This tag decides if and how calculations are continued from existing data in machine learning force field method. | Description: This tag decides if and how calculations are continued from existing data in machine learning force field method. | ||
---- | ---- | ||
The following cases can be selected: | The following cases can be selected: | ||
*{{TAG| | *{{TAG|ML_ISTART}}=0: The training calculations are started from scratch without taking any existing data into considerations. Learning is executed. | ||
*{{TAG| | *{{TAG|ML_ISTART}}=1: The program reads the training data stored in the {{TAG|ML_AB}} file and restarts the training calculation. Learning is executed. | ||
*{{TAG| | *{{TAG|ML_ISTART}}=2: The program reads the force field parameters stored in the {{TAG|ML_FF}} file and executes calculations using the force field only. No learning is executed. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|ML_LMLFF}}, {{TAG|ML_W1}}, {{TAG|ML_WTOTEN}}, {{TAG|ML_WTIFOR}}, {{TAG|ML_WTSIF}} | ||
{{sc| | {{sc|ML_ISTART|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] | ||
Revision as of 08:47, 23 August 2021
ML_ISTART = [integer]
Default: ML_ISTART = 0
Description: This tag decides if and how calculations are continued from existing data in machine learning force field method.
The following cases can be selected:
- ML_ISTART=0: The training calculations are started from scratch without taking any existing data into considerations. Learning is executed.
- ML_ISTART=1: The program reads the training data stored in the ML_AB file and restarts the training calculation. Learning is executed.
- ML_ISTART=2: The program reads the force field parameters stored in the ML_FF file and executes calculations using the force field only. No learning is executed.
Related Tags and Sections
ML_LMLFF, ML_W1, ML_WTOTEN, ML_WTIFOR, ML_WTSIF