User contributions for Karsai

28 January 2025

• 11:3911:39, 28 January 2025 diff hist +25‎ CH NEDOS ‎ →‎Related tags and articles current
• 11:3811:38, 28 January 2025 diff hist +26‎ CH LSPEC ‎ →‎Related tags and articles current
• 11:3811:38, 28 January 2025 diff hist +24‎ CH SIGMA ‎No edit summary current
• 11:3711:37, 28 January 2025 diff hist +564‎ N CH AMPLIFICATION ‎ Created page with "{{DISPLAYTITLE:CH_AMPLIFICATION}} {{TAGDEF|CH_AMPLIFICATION|[real]|1.0}} Description: This tag is used to amplify (scale) the spectrum obtained within the supercell core-hole method. ---- This feature is only available from VASP version 6.0 or higher. == Related tags and articles == {{TAG|CH_LSPEC}},{{TAG|CH_NEDOS}},{{TAG|ICORELEVEL}},{{TAG|CLNT}},{{TAG|CLN}},{{TAG|CLL}},{{TAG|CLZ}},{{TAG|CH_SIGMA}} {{sc|CH_SIGMA|Examples|Examples that use this tag}} ---- Category:..." current

24 January 2025

• 13:3113:31, 24 January 2025 diff hist +18‎ Construction:ML NCSHMEM ‎No edit summary current
• 13:2413:24, 24 January 2025 diff hist +9‎ Construction:ML NCSHMEM ‎No edit summary
• 13:2313:23, 24 January 2025 diff hist +9‎ Construction:ML NCSHMEM ‎No edit summary
• 13:2213:22, 24 January 2025 diff hist 0‎ Construction:ML NCSHMEM ‎No edit summary
• 13:2013:20, 24 January 2025 diff hist +1‎ Construction:ML NCSHMEM ‎No edit summary
• 13:2013:20, 24 January 2025 diff hist +4‎ Construction:ML NCSHMEM ‎No edit summary
• 13:1913:19, 24 January 2025 diff hist +302‎ Construction:ML NCSHMEM ‎No edit summary
• 13:0813:08, 24 January 2025 diff hist +8‎ Construction:ML NCSHMEM ‎No edit summary
• 13:0713:07, 24 January 2025 diff hist +529‎ N Construction:ML NCSHMEM ‎ Created page with "{{TAGDEF|ML_NCSHMEM|[integer]|-1 }} Description: {{TAG|ML_NCSHMEM}} determines the number of compute cores sharing the memory in MPI in machine-learning force fields. ---- By default when compiled with -Duse_shmem all cores within a node share memory. To disable share memory set NCSHMEM=1. == Related tags and articles == Shared memory, {{TAG|ML_LMLFF}} {{sc|ML_NCSHMEM|Examples|Examples that use this tag}} ---- Category:INCAR tagCategory:Machine-learned for..."

9 January 2025

• 15:2615:26, 9 January 2025 diff hist +1‎ Known issues ‎No edit summary
• 15:0615:06, 9 January 2025 diff hist −7‎ Known issues ‎No edit summary
• 14:0214:02, 9 January 2025 diff hist −1‎ Known issues ‎No edit summary
• 13:5913:59, 9 January 2025 diff hist +794‎ Known issues ‎No edit summary

8 January 2025

• 14:2514:25, 8 January 2025 diff hist −199‎ ML IERR ‎No edit summary current
• 14:2314:23, 8 January 2025 diff hist +1‎ ML IERR ‎No edit summary
• 14:2114:21, 8 January 2025 diff hist −1‎ ML IERR ‎No edit summary
• 09:2109:21, 8 January 2025 diff hist −17‎ Changelog ‎No edit summary
• 09:2009:20, 8 January 2025 diff hist +80‎ Changelog ‎No edit summary
• 09:1809:18, 8 January 2025 diff hist +151‎ Changelog ‎ →‎IMPROVEMENT

24 December 2024

• 08:4708:47, 24 December 2024 diff hist +1,096‎ Machine learning force field: Theory ‎No edit summary current

18 December 2024

• 14:4214:42, 18 December 2024 diff hist +117‎ ML ICRITERIA ‎No edit summary current
• 14:4014:40, 18 December 2024 diff hist +214‎ ML CTIFOR ‎No edit summary current
• 14:3914:39, 18 December 2024 diff hist +1,133‎ N ML CALGO ‎ Created page with "{{DISPLAYTITLE:ML_CALGO}} {{TAGDEF|ML_CALGO|[integer]|0}} Description: Chooses error estimation type for on-the-fly training or reselection of local referenc configurations. ---- This tag chooes which algorithm is employed for the error estimation in {{TAG|ML_MODE}}=''TRAIN'' or ''SELECT''. The following two choices are available: *{{TAG|ML_CALGO}}=0: Bayesian error estimation. Constant or variable threshold. Default. *{{TAG|ML_CALGO}}=1: Spilling factor. Constant thr..." current
• 14:3814:38, 18 December 2024 diff hist +1,498‎ ML IERR ‎No edit summary
• 09:5909:59, 18 December 2024 diff hist −2‎ Best practices for machine-learned force fields ‎No edit summary current
• 09:5809:58, 18 December 2024 diff hist +1‎ Best practices for machine-learned force fields ‎ →‎Descriptor reduction in production runs
• 09:5709:57, 18 December 2024 diff hist −130‎ Best practices for machine-learned force fields ‎ →‎Descriptor reduction in production runs
• 09:4509:45, 18 December 2024 diff hist +4‎ Best practices for machine-learned force fields ‎ →‎Descriptor reduction in production runs
• 09:4509:45, 18 December 2024 diff hist +114‎ Best practices for machine-learned force fields ‎ →‎Descriptor reduction in production runs
• 09:4109:41, 18 December 2024 diff hist −20‎ Best practices for machine-learned force fields ‎No edit summary
• 09:3809:38, 18 December 2024 diff hist +2,461‎ Best practices for machine-learned force fields ‎No edit summary

17 October 2024

• 14:1014:10, 17 October 2024 diff hist +173‎ HESSEMAT ‎No edit summary current
• 14:1014:10, 17 October 2024 diff hist +174‎ TILAMBDA ‎No edit summary current
• 14:0814:08, 17 October 2024 diff hist +8‎ TILAMBDA ‎No edit summary
• 14:0714:07, 17 October 2024 diff hist −1‎ HESSEMAT ‎ →‎Related tags and articles
• 14:0714:07, 17 October 2024 diff hist +67‎ HESSEMAT ‎No edit summary
• 14:0614:06, 17 October 2024 diff hist −509‎ TI LAMBDA ‎ Blanked the page current Tag: Blanking
• 14:0614:06, 17 October 2024 diff hist +509‎ N TILAMBDA ‎ Created page with "{{DISPLAYTITLE:TILAMBDA}} {{TAGDEF|TILAMBDA|real | 0.0}} Description: {{TAG|TILAMBDA}} defines the coupling parameter <math>\lambda</math> used in Thermodynamic integration with harmonic reference. The value of <math>\lambda</math> must be from the inverval <math>\langle 0, 1 \rangle</math>. == Related tags and articles == {{TAG|HESSEMAT}}, {{TAG|REPORT}} Category:INCARCategory:Adva..."
• 14:0614:06, 17 October 2024 diff hist −1‎ Thermodynamic integration calculations ‎ →‎Alternative way of thermodynamic integration for harmonic solid current
• 14:0514:05, 17 October 2024 diff hist −3‎ TI LAMBDA ‎No edit summary
• 14:0414:04, 17 October 2024 diff hist +1‎ TI LAMBDA ‎No edit summary Tag: Manual revert
• 14:0414:04, 17 October 2024 diff hist −1‎ TI LAMBDA ‎No edit summary Tags: Manual revert Reverted
• 14:0414:04, 17 October 2024 diff hist +1‎ TI LAMBDA ‎No edit summary Tag: Reverted
• 14:0414:04, 17 October 2024 diff hist +16‎ TI LAMBDA ‎No edit summary
• 14:0314:03, 17 October 2024 diff hist +66‎ TI LAMBDA ‎No edit summary
• 14:0314:03, 17 October 2024 diff hist +16‎ HESSEMAT ‎No edit summary