User contributions for Karsai

12 June 2024

• 12:1212:12, 12 June 2024 diff hist +57‎ Construction:ML IERR ‎No edit summary
• 12:1012:10, 12 June 2024 diff hist +4‎ Construction:Machine learning force field: Theory ‎ →‎Spilling factor
• 08:3108:31, 12 June 2024 diff hist −6‎ Construction:Best practices for machine-learned force fields ‎No edit summary
• 08:2908:29, 12 June 2024 diff hist −16‎ Construction:Best practices for machine-learned force fields ‎ →‎Testing and application
• 08:2808:28, 12 June 2024 diff hist +40‎ Construction:Best practices for machine-learned force fields ‎No edit summary
• 08:2708:27, 12 June 2024 diff hist +730‎ Construction:Best practices for machine-learned force fields ‎ →‎Testing and application
• 08:1408:14, 12 June 2024 diff hist +5‎ Construction:Best practices for machine-learned force fields ‎No edit summary
• 08:1308:13, 12 June 2024 diff hist +8‎ Construction:Best practices for machine-learned force fields ‎ →‎Testing and application
• 08:1308:13, 12 June 2024 diff hist −22‎ Construction:Best practices for machine-learned force fields ‎ →‎Spilling factor: error estimates during production runs
• 08:1108:11, 12 June 2024 diff hist +26‎ Construction:Best practices for machine-learned force fields ‎ →‎Spilling factor: error estimates during production runs
• 08:1008:10, 12 June 2024 diff hist +757‎ Construction:Best practices for machine-learned force fields ‎ →‎Spilling factor: error estimates during production runs
• 08:0908:09, 12 June 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎ →‎Computational efficiency in production runs
• 08:0508:05, 12 June 2024 diff hist +37‎ Construction:Best practices for machine-learned force fields ‎No edit summary
• 08:0008:00, 12 June 2024 diff hist +6‎ Construction:Best practices for machine-learned force fields ‎No edit summary
• 07:5807:58, 12 June 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎Testing
• 07:5807:58, 12 June 2024 diff hist +3‎ Construction:Best practices for machine-learned force fields ‎No edit summary
• 07:5707:57, 12 June 2024 diff hist −18‎ Construction:Best practices for machine-learned force fields ‎ →‎Spilling factor: error estimates during production runs
• 07:5607:56, 12 June 2024 diff hist +946‎ Construction:Best practices for machine-learned force fields ‎ →‎Spilling factor
• 07:4807:48, 12 June 2024 diff hist +138‎ Construction:Best practices for machine-learned force fields ‎ →‎Testing

11 June 2024

• 20:0920:09, 11 June 2024 diff hist +18‎ Construction:ML CTIFOR ‎ →‎Related tags and articles
• 20:0920:09, 11 June 2024 diff hist +54‎ Construction:ML CTIFOR ‎No edit summary
• 20:0620:06, 11 June 2024 diff hist −48‎ Construction:ML CTIFOR ‎No edit summary
• 20:0620:06, 11 June 2024 diff hist +1,781‎ N Construction:ML CTIFOR ‎ Created page with "{{DISPLAYTITLE:ML_CTIFOR}} {{TAGDEF|ML_CTIFOR|[real]|<math> 0.002</math>}} {{DEF|ML_CTIFOR|0.002|if {{TAG|ML_CALGO}} {{=}} 0|0.02|if {{TAG|ML_CALGO}} {{=}} 1}} Description: This flag sets the threshold for the Bayesian error estimation on the force within the machine learning force field method. ---- The use of this tag in combination with the learning algorithms is described here: Machine learning force field calculations: Basics#Sampling of training data and local r..."
• 20:0220:02, 11 June 2024 diff hist +33‎ Construction:ML ICRITERIA ‎No edit summary
• 20:0220:02, 11 June 2024 diff hist −45‎ Construction:ML ICRITERIA ‎No edit summary
• 20:0020:00, 11 June 2024 diff hist 0‎ Construction:ML ICRITERIA ‎No edit summary
• 20:0020:00, 11 June 2024 diff hist +27‎ Construction:ML ICRITERIA ‎No edit summary
• 19:5919:59, 11 June 2024 diff hist +1‎ Construction:ML ICRITERIA ‎No edit summary
• 19:5919:59, 11 June 2024 diff hist −28‎ Construction:ML ICRITERIA ‎No edit summary
• 19:5919:59, 11 June 2024 diff hist +92‎ Construction:ML ICRITERIA ‎No edit summary
• 19:5719:57, 11 June 2024 diff hist +24‎ Construction:ML ICRITERIA ‎No edit summary
• 19:5619:56, 11 June 2024 diff hist +4,853‎ N Construction:ML ICRITERIA ‎ Created page with "{{DISPLAYTITLE:ML_ICRITERIA}} {{TAGDEF|ML_ICRITERIA|[integer]}} {{DEF|ML_ICRITERIA|3|for {{TAG|ML_MODE}} {{=}} SELECT|1|else}} Description: Decides whether ({{TAG|ML_ICRITERIA}}>0) or how the Bayesian error threshold ({{TAG|ML_CTIFOR}}) is updated within the machine learning force field method. {{TAG|ML_CTIFOR}} determines whether a first-principles calculation is performed. ---- The use of this tag in combination with the learning algorithms is described here: Machi..."
• 19:5419:54, 11 June 2024 diff hist +16‎ Construction:ML CALGO ‎No edit summary current
• 19:5319:53, 11 June 2024 diff hist +809‎ Construction:ML CALGO ‎No edit summary
• 19:3719:37, 11 June 2024 diff hist +315‎ N Construction:ML CALGO ‎ Created page with "{{DISPLAYTITLE:ML_CALGO}} {{TAGDEF|ML_CALGO|[integer]|0}} Description: Chooses error estimation type for {{TAG|ML_MODE}}=''TRAIN'' or ''SELECT''. ---- == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_MODE}}, {{TAG|ML_CTIFOR}} ---- <!--Category:INCAR tagCategory:Machine-learned force fields-->"
• 18:5918:59, 11 June 2024 diff hist +512‎ Construction:ML IERR ‎No edit summary
• 18:4618:46, 11 June 2024 diff hist 0‎ Construction:ML IERR ‎No edit summary
• 18:4618:46, 11 June 2024 diff hist +6‎ Construction:ML IERR ‎No edit summary
• 18:4618:46, 11 June 2024 diff hist +2‎ Construction:ML IERR ‎No edit summary
• 18:4518:45, 11 June 2024 diff hist −5‎ Construction:ML IERR ‎No edit summary
• 18:4418:44, 11 June 2024 diff hist +5‎ Construction:ML IERR ‎No edit summary
• 18:4418:44, 11 June 2024 diff hist +22‎ Construction:ML IERR ‎No edit summary
• 18:4318:43, 11 June 2024 diff hist +19‎ Construction:ML IERR ‎No edit summary
• 18:4118:41, 11 June 2024 diff hist +2,225‎ N Construction:ML IERR ‎ Created page with "{{DISPLAYTITLE:ML_IERR}} {{TAGDEF|ML_IERR|[integer]|0}} Description: Calculation and output frequency of error estimates for {{TAG|ML_MODE}}=''RUN' runs. ---- This tag sets the distance in units of molecular-dynamics steps at which the spilling factor is written out to the {{TAG|ML_LOGFILE}}. The spilling factor is calculated for each atom in the current structure and the maximum spilling factor among all atoms is written out as ''SFF'' (''SF'' before fitting for non pr..."
• 07:5407:54, 11 June 2024 diff hist −29‎ Construction:Best practices for machine-learned force fields ‎No edit summary
• 07:5207:52, 11 June 2024 diff hist +28‎ Construction:Machine learning force field: Theory ‎ →‎Spilling factor
• 07:5107:51, 11 June 2024 diff hist −162‎ Template:Cite ‎No edit summary Tag: Manual revert
• 07:5007:50, 11 June 2024 diff hist −27‎ Construction:Machine learning force field: Theory ‎ →‎Spilling factor
• 07:4907:49, 11 June 2024 diff hist +22‎ Construction:Machine learning force field: Theory ‎ →‎Spilling factor
• 07:4907:49, 11 June 2024 diff hist +162‎ Template:Cite ‎No edit summary Tag: Reverted