Jump to content

Requests for technical support from the VASP group should be posted in the VASP-forum.

User contributions for Karsai

For Karsai talk block log uploads logs

13:2513:25, 24 April 2024 diff hist 0‎ Machine learning force field: Theory ‎ →‎Descriptors current

07:1507:15, 11 April 2024 diff hist +17‎ Best practices for machine-learned force fields ‎ →‎Reduced descriptors current
07:1407:14, 11 April 2024 diff hist −12‎ Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction

14:0114:01, 20 March 2024 diff hist +138‎ ML NRANK SPARSDES ‎No edit summary current
14:0114:01, 20 March 2024 diff hist +79‎ ML RDES SPARSDES ‎No edit summary current
14:0014:00, 20 March 2024 diff hist +852‎ ML LSPARSDES ‎No edit summary current
13:5613:56, 20 March 2024 diff hist +3,968‎ N ML DESC TYPE ‎ Created page with "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|0}} Description: This tag selects the descriptor type of the three-body descriptor used in machine learning force fields. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- {{NB|mind|This tag is only available for {{TAG|ML_MODE}}{{=}}'refit' and {{TAG|ML_MODE}}{{=}}'run'}}. This tag selects how the three-body descriptor is calculated and the following options are available: *{{TAG|ML_DESC_TYPE}}=0:..."
13:5513:55, 20 March 2024 diff hist +445‎ Machine learning force field: Theory ‎No edit summary
13:5013:50, 20 March 2024 diff hist +4,522‎ Best practices for machine-learned force fields ‎No edit summary

08:4208:42, 17 February 2024 diff hist −8‎ CHG ‎No edit summary current

22:4422:44, 16 February 2024 diff hist −8‎ CHGCAR ‎No edit summary current

09:4009:40, 9 February 2024 diff hist −4‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction current
09:3909:39, 9 February 2024 diff hist +69‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
09:3709:37, 9 February 2024 diff hist +9‎ Construction:Best practices for machine-learned force fields ‎ →‎Descriptor reduction for production runs

09:1909:19, 8 February 2024 diff hist +7‎ Construction:Best practices for machine-learned force fields ‎No edit summary

23:1323:13, 7 February 2024 diff hist −32‎ Construction:Best practices for machine-learned force fields ‎ →‎Descriptor reduction for production runs
23:1223:12, 7 February 2024 diff hist +30‎ Construction:Best practices for machine-learned force fields ‎ →‎Descriptor reduction for production runs
23:1223:12, 7 February 2024 diff hist +387‎ Construction:Best practices for machine-learned force fields ‎ →‎Descriptor reduction for production runs
23:0423:04, 7 February 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
23:0323:03, 7 February 2024 diff hist −2‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
23:0323:03, 7 February 2024 diff hist +827‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:4322:43, 7 February 2024 diff hist +334‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:3822:38, 7 February 2024 diff hist +505‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:2822:28, 7 February 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎Descriptor reduction for production runs
22:2522:25, 7 February 2024 diff hist −2‎ Construction:Best practices for machine-learned force fields ‎ →‎Descriptor reduction for production runs
22:2522:25, 7 February 2024 diff hist −6‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:2522:25, 7 February 2024 diff hist −6‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:2222:22, 7 February 2024 diff hist −4‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:2222:22, 7 February 2024 diff hist +8‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:2122:21, 7 February 2024 diff hist −125‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:2022:20, 7 February 2024 diff hist −27‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:2022:20, 7 February 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:1922:19, 7 February 2024 diff hist +153‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:1822:18, 7 February 2024 diff hist +1‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:1722:17, 7 February 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:1722:17, 7 February 2024 diff hist +22‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:1622:16, 7 February 2024 diff hist 0‎ N File:Pareto Azobenzene.png ‎No edit summary current
22:1522:15, 7 February 2024 diff hist +3‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:1522:15, 7 February 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:1422:14, 7 February 2024 diff hist +482‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:0822:08, 7 February 2024 diff hist +214‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:0422:04, 7 February 2024 diff hist +16‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:0322:03, 7 February 2024 diff hist +1‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:0322:03, 7 February 2024 diff hist −7‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:0222:02, 7 February 2024 diff hist +5‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:0022:00, 7 February 2024 diff hist +2‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
22:0022:00, 7 February 2024 diff hist +2‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction Tag: Manual revert
21:5921:59, 7 February 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction Tag: Reverted
21:5821:58, 7 February 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction Tag: Reverted
21:5821:58, 7 February 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
21:5821:58, 7 February 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
21:5821:58, 7 February 2024 diff hist +111‎ Construction:Best practices for machine-learned force fields ‎ →‎Controlling the descriptor reduction
21:5621:56, 7 February 2024 diff hist 0‎ N File:Pareto Ethanol.png ‎No edit summary current
21:5521:55, 7 February 2024 diff hist +301‎ Construction:Best practices for machine-learned force fields ‎ →‎Descriptor reduction for production runs
21:4421:44, 7 February 2024 diff hist +1,099‎ Construction:Best practices for machine-learned force fields ‎ →‎Reduced descriptors
21:3921:39, 7 February 2024 diff hist −22‎ ML LSPARSDES ‎ →‎Related tags and articles
21:3921:39, 7 February 2024 diff hist +22‎ ML LSPARSDES ‎ →‎Related tags and articles
21:3821:38, 7 February 2024 diff hist +47‎ ML LSPARSDES ‎No edit summary
21:3321:33, 7 February 2024 diff hist 0‎ ML LSPARSDES ‎No edit summary
21:1621:16, 7 February 2024 diff hist −29‎ Construction:Machine learning force field: Theory ‎ →‎Reduced descriptors current
21:1521:15, 7 February 2024 diff hist +76‎ Construction:Machine learning force field: Theory ‎ →‎Reduced descriptors
21:1321:13, 7 February 2024 diff hist −294‎ Construction:Machine learning force field: Theory ‎ →‎Reduced descriptors
21:0621:06, 7 February 2024 diff hist −658‎ Construction:Machine learning force field: Theory ‎ →‎Reduced descriptors
21:0321:03, 7 February 2024 diff hist +1,300‎ Construction:Machine learning force field: Theory ‎ →‎Basis set expansion and descriptors
21:0021:00, 7 February 2024 diff hist +27‎ Construction:Machine learning force field: Theory ‎ →‎Basis set expansion and descriptors
20:5820:58, 7 February 2024 diff hist +16‎ Construction:Machine learning force field: Theory ‎ →‎Basis set expansion
20:5720:57, 7 February 2024 diff hist +35,553‎ Construction:Machine learning force field: Theory ‎ Removed redirect to Machine learning force field: Theory Tag: Removed redirect
19:4919:49, 7 February 2024 diff hist +161‎ Construction:Best practices for machine-learned force fields ‎ →‎Performance
19:4319:43, 7 February 2024 diff hist +115‎ Construction:Best practices for machine-learned force fields ‎No edit summary

11:1611:16, 10 January 2024 diff hist +10,136‎ Best practices for machine-learned force fields ‎No edit summary
10:2910:29, 10 January 2024 diff hist +3‎ Construction:Best practices for machine-learned force fields ‎ →‎Performance
10:2710:27, 10 January 2024 diff hist +1‎ Construction:Best practices for machine-learned force fields ‎ →‎Application
10:2510:25, 10 January 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎No edit summary
10:2210:22, 10 January 2024 diff hist +14‎ Construction:Best practices for machine-learned force fields ‎ →‎Generating a representative test set
10:1610:16, 10 January 2024 diff hist +7‎ Construction:Best practices for machine-learned force fields ‎No edit summary
10:1510:15, 10 January 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎Best practice training modes
10:1410:14, 10 January 2024 diff hist −9‎ Construction:Best practices for machine-learned force fields ‎ →‎Generating a representative test set
10:1210:12, 10 January 2024 diff hist +76‎ Construction:Best practices for machine-learned force fields ‎ →‎Monitoring on-the-fly learning
10:0610:06, 10 January 2024 diff hist −5‎ Construction:Best practices for machine-learned force fields ‎ →‎Best practice training modes
10:0110:01, 10 January 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎No edit summary
09:5909:59, 10 January 2024 diff hist −4‎ Construction:Best practices for machine-learned force fields ‎ →‎Best practice training modes
09:5709:57, 10 January 2024 diff hist +47‎ Construction:Best practices for machine-learned force fields ‎ →‎Best practice training modes

15:2615:26, 9 January 2024 diff hist +38‎ Construction:Best practices for machine-learned force fields ‎ →‎Monitoring on-the-fly learning
14:4514:45, 9 January 2024 diff hist +45‎ Construction:Best practices for machine-learned force fields ‎ →‎Related articles

13:3713:37, 8 January 2024 diff hist +243‎ Template:Cite ‎No edit summary
11:2511:25, 8 January 2024 diff hist +6‎ Construction:Best practices for machine-learned force fields ‎ →‎Reduction of memory usage in on-the-fly calculations
11:2311:23, 8 January 2024 diff hist +9‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory reduction in on-the-fly calculations
11:2211:22, 8 January 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎No edit summary
11:2111:21, 8 January 2024 diff hist −4‎ Construction:Best practices for machine-learned force fields ‎ →‎Monitoring the on-the-fly learning
11:2011:20, 8 January 2024 diff hist +24‎ Construction:Best practices for machine-learned force fields ‎No edit summary
11:1911:19, 8 January 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎No edit summary
11:1711:17, 8 January 2024 diff hist −10‎ Construction:Best practices for machine-learned force fields ‎ →‎Monitoring MLFF run with blocked averages
11:1711:17, 8 January 2024 diff hist +303‎ Construction:Best practices for machine-learned force fields ‎ →‎Monitoring MLFF run with blocked averages
11:0511:05, 8 January 2024 diff hist +37‎ Construction:Best practices for machine-learned force fields ‎ →‎Monitoring MLFF run with blocked averages
11:0411:04, 8 January 2024 diff hist +263‎ Construction:Best practices for machine-learned force fields ‎ →‎Monitoring MLFF run with blocked averages
10:5410:54, 8 January 2024 diff hist +1‎ Construction:Best practices for machine-learned force fields ‎ →‎= Application
10:5410:54, 8 January 2024 diff hist −1‎ Construction:Best practices for machine-learned force fields ‎ →‎= Application
10:5410:54, 8 January 2024 diff hist −41‎ Construction:Best practices for machine-learned force fields ‎ →‎Application
10:4110:41, 8 January 2024 diff hist −384‎ Construction:Best practices for machine-learned force fields ‎ →‎Agreement check on physical properties
10:3610:36, 8 January 2024 diff hist +384‎ Construction:Best practices for machine-learned force fields ‎No edit summary
09:2609:26, 8 January 2024 diff hist −156‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory consumption

11:0711:07, 5 January 2024 diff hist +15‎ Construction:Best practices for machine-learned force fields ‎ →‎Computational efficiency in production runs
11:0511:05, 5 January 2024 diff hist +5‎ Construction:Best practices for machine-learned force fields ‎ →‎Computational speed in production runs
11:0411:04, 5 January 2024 diff hist 0‎ Construction:Best practices for machine-learned force fields ‎No edit summary
10:4710:47, 5 January 2024 diff hist +1,981‎ Construction:Best practices for machine-learned force fields ‎ →‎Testing

09:3809:38, 28 November 2023 diff hist −3‎ ML RDES SPARSDES ‎No edit summary
09:3609:36, 28 November 2023 diff hist −3‎ ML RDES SPARSDES ‎No edit summary

11:0711:07, 11 November 2023 diff hist +1‎ ML LCOUPLE ‎No edit summary current

12:5112:51, 18 October 2023 diff hist +1,986‎ Construction:Best practices for machine-learned force fields ‎No edit summary
12:0712:07, 18 October 2023 diff hist −19‎ Construction:Best practices for machine-learned force fields ‎No edit summary
10:5210:52, 18 October 2023 diff hist −29‎ PENALTYPOT ‎ →‎Related tags and articles current
10:4310:43, 18 October 2023 diff hist +303‎ Template:Cite ‎No edit summary
10:2510:25, 18 October 2023 diff hist −29‎ Category:Interface pinning ‎ →‎References current
10:1810:18, 18 October 2023 diff hist −29‎ Category:Metadynamics ‎ →‎References current

09:3009:30, 13 October 2023 diff hist −4‎ ML SCLC CTIFOR ‎No edit summary current

08:5708:57, 15 September 2023 diff hist +59‎ Best practices for machine-learned force fields ‎ →‎Monitoring
08:3608:36, 15 September 2023 diff hist −81‎ Best practices for machine-learned force fields ‎ →‎Monitoring

10:4610:46, 18 August 2023 diff hist +399‎ POSCAR ‎No edit summary
10:3710:37, 18 August 2023 diff hist +46‎ POMASS ‎No edit summary current
10:3610:36, 18 August 2023 diff hist +647‎ POMASS ‎No edit summary

12:5812:58, 12 July 2023 diff hist +8‎ Nose-Hoover-chain thermostat ‎No edit summary current

08:3408:34, 11 July 2023 diff hist +301‎ Construction:Best practices for machine-learned force fields ‎ →‎Computational speed in production runs

14:4414:44, 10 July 2023 diff hist +68‎ Construction:Best practices for machine-learned force fields ‎ →‎Computational speed in production runs
14:4114:41, 10 July 2023 diff hist +15‎ Construction:Best practices for machine-learned force fields ‎No edit summary
11:1111:11, 10 July 2023 diff hist +1,306‎ Construction:Best practices for machine-learned force fields ‎ →‎Performance
11:0611:06, 10 July 2023 diff hist −2‎ ML OUTBLOCK ‎No edit summary
10:5410:54, 10 July 2023 diff hist +199‎ Construction:Best practices for machine-learned force fields ‎No edit summary
10:4810:48, 10 July 2023 diff hist −21‎ Construction:Best practices for machine-learned force fields ‎ →‎Performance
10:4710:47, 10 July 2023 diff hist −130‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory requirements
10:4610:46, 10 July 2023 diff hist +1‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory requirements
10:4510:45, 10 July 2023 diff hist +91‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory requirements
10:4410:44, 10 July 2023 diff hist +144‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory requirements
10:3510:35, 10 July 2023 diff hist +18‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory estimation
10:3410:34, 10 July 2023 diff hist +2‎ Construction:Best practices for machine-learned force fields ‎ →‎Memory estimation
10:3410:34, 10 July 2023 diff hist +4,848‎ Construction:Best practices for machine-learned force fields ‎No edit summary
10:2310:23, 10 July 2023 diff hist +43,819‎ N Construction:Best practices for machine-learned force fields ‎ Created page with "Using the machine-learning-force-fields method, VASP can construct force fields based on ab-initio simulations. When constructing, t..."

16:0516:05, 3 July 2023 diff hist +94‎ ML SIGV0 ‎No edit summary current
16:0516:05, 3 July 2023 diff hist +94‎ ML SIGW0 ‎No edit summary current
15:5615:56, 3 July 2023 diff hist +29‎ ML SIGV0 ‎No edit summary
15:5515:55, 3 July 2023 diff hist +18‎ ML SIGW0 ‎No edit summary
15:5515:55, 3 July 2023 diff hist −2‎ ML SIGW0 ‎No edit summary
15:5415:54, 3 July 2023 diff hist +31‎ ML SIGW0 ‎No edit summary
15:5415:54, 3 July 2023 diff hist +76‎ ML SIGW0 ‎No edit summary
15:5215:52, 3 July 2023 diff hist +18‎ ML IALGO LINREG ‎ →‎Related tags and articles current
15:5215:52, 3 July 2023 diff hist +59‎ ML IALGO LINREG ‎No edit summary
15:5115:51, 3 July 2023 diff hist +1‎ ML IALGO LINREG ‎No edit summary
15:5115:51, 3 July 2023 diff hist +99‎ ML IALGO LINREG ‎No edit summary
15:4815:48, 3 July 2023 diff hist +24‎ ML IALGO LINREG ‎No edit summary
15:4715:47, 3 July 2023 diff hist −28‎ ML IALGO LINREG ‎No edit summary
15:4615:46, 3 July 2023 diff hist +25‎ ML SIGV0 ‎No edit summary
15:4615:46, 3 July 2023 diff hist +255‎ ML SIGW0 ‎No edit summary
15:4315:43, 3 July 2023 diff hist +1‎ ML SIGV0 ‎No edit summary
15:4315:43, 3 July 2023 diff hist +267‎ ML SIGV0 ‎No edit summary
15:3815:38, 3 July 2023 diff hist +7‎ ML SIGV0 ‎No edit summary
15:3715:37, 3 July 2023 diff hist −39‎ ML SIGV0 ‎No edit summary
15:3515:35, 3 July 2023 diff hist +3‎ Machine learning force field: Theory ‎ →‎Regression
15:3415:34, 3 July 2023 diff hist +50‎ N Construction:Machine learning force field: Theory ‎ Karsai moved page Construction:Machine learning force field: Theory to Machine learning force field: Theory Tag: New redirect
15:3415:34, 3 July 2023 diff hist 0‎ m Machine learning force field: Theory ‎ Karsai moved page Construction:Machine learning force field: Theory to Machine learning force field: Theory
15:3315:33, 3 July 2023 diff hist +1‎ Machine learning force field: Theory ‎ →‎Prediction and error estimates
15:3215:32, 3 July 2023 diff hist 0‎ Machine learning force field: Theory ‎ →‎Prediction and error estimates
15:3215:32, 3 July 2023 diff hist −10‎ Machine learning force field: Theory ‎ →‎Evidence approximation
15:3115:31, 3 July 2023 diff hist −29‎ Machine learning force field: Theory ‎ →‎Evidence approximation
15:2915:29, 3 July 2023 diff hist −20‎ Machine learning force field: Theory ‎ →‎Evidence approximation
15:2015:20, 3 July 2023 diff hist −1‎ Machine learning force field: Theory ‎ →‎Solution via regularized SVD
15:1815:18, 3 July 2023 diff hist −20‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
15:1815:18, 3 July 2023 diff hist −20‎ Machine learning force field: Theory ‎ →‎Solution via Inversion
15:1715:17, 3 July 2023 diff hist +22‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
15:1615:16, 3 July 2023 diff hist +1‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
15:1515:15, 3 July 2023 diff hist +92‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
15:1315:13, 3 July 2023 diff hist −15‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
15:1115:11, 3 July 2023 diff hist +29‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
15:0015:00, 3 July 2023 diff hist +61‎ Machine learning force field: Theory ‎No edit summary
14:5814:58, 3 July 2023 diff hist −2‎ Machine learning force field: Theory ‎ Undo revision 20511 by Karsai (talk) Tag: Undo
14:5814:58, 3 July 2023 diff hist 0‎ Machine learning force field: Theory ‎ Undo revision 20512 by Karsai (talk) Tag: Undo
14:5714:57, 3 July 2023 diff hist −6‎ Machine learning force field: Theory ‎ Undo revision 20500 by Karsai (talk) Tag: Undo
14:5614:56, 3 July 2023 diff hist +10‎ Machine learning force field: Theory ‎ Undo revision 20513 by Karsai (talk) Tag: Undo
14:5314:53, 3 July 2023 diff hist −10‎ Machine learning force field: Theory ‎ →‎Evidence approximation
14:5214:52, 3 July 2023 diff hist 0‎ Machine learning force field: Theory ‎ →‎Evidence approximation
14:5214:52, 3 July 2023 diff hist +2‎ Machine learning force field: Theory ‎ →‎Evidence approximation
14:5114:51, 3 July 2023 diff hist 0‎ Machine learning force field: Theory ‎ →‎Evidence approximation
14:5114:51, 3 July 2023 diff hist 0‎ Machine learning force field: Theory ‎ →‎Evidence approximation
14:4914:49, 3 July 2023 diff hist +12‎ Machine learning force field: Theory ‎ →‎Evidence approximation
14:0214:02, 3 July 2023 diff hist +2‎ Machine learning force field: Theory ‎ →‎Evidence approximation
14:0014:00, 3 July 2023 diff hist −9‎ Machine learning force field: Theory ‎ →‎Solution via regularized SVD
14:0014:00, 3 July 2023 diff hist −15‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
13:5913:59, 3 July 2023 diff hist −15‎ Machine learning force field: Theory ‎ →‎Solution via Inversion
13:5913:59, 3 July 2023 diff hist −14‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
13:5813:58, 3 July 2023 diff hist −28‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
13:5613:56, 3 July 2023 diff hist +6‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
13:5313:53, 3 July 2023 diff hist +6‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
13:3213:32, 3 July 2023 diff hist +1‎ ML SIGW0 ‎No edit summary

16:5816:58, 20 June 2023 diff hist +4‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression

13:1713:17, 19 June 2023 diff hist −1‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
13:1713:17, 19 June 2023 diff hist −97‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
13:1413:14, 19 June 2023 diff hist −22‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
13:1313:13, 19 June 2023 diff hist −1‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
09:4309:43, 19 June 2023 diff hist +1‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
09:4209:42, 19 June 2023 diff hist −1‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
09:4209:42, 19 June 2023 diff hist −1‎ Machine learning force field: Theory ‎ →‎Evidence approximation
09:4009:40, 19 June 2023 diff hist +1‎ Machine learning force field: Theory ‎ →‎Solution via Inversion
09:3909:39, 19 June 2023 diff hist +6‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
09:3809:38, 19 June 2023 diff hist +127‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
09:3609:36, 19 June 2023 diff hist +6‎ Machine learning force field: Theory ‎ →‎Solution via Inversion
09:3509:35, 19 June 2023 diff hist +108‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
09:3309:33, 19 June 2023 diff hist +252‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
09:2109:21, 19 June 2023 diff hist −17‎ Machine learning force field: Theory ‎ →‎Solution via LU factorization
09:1209:12, 19 June 2023 diff hist +2‎ Machine learning force field: Theory ‎ →‎Solution via Inversion
09:1209:12, 19 June 2023 diff hist +257‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
09:0509:05, 19 June 2023 diff hist +31‎ Machine learning force field: Theory ‎ →‎Solution via Inversion
09:0309:03, 19 June 2023 diff hist +524‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
08:5208:52, 19 June 2023 diff hist +22‎ Machine learning force field: Theory ‎ →‎Regression
08:5108:51, 19 June 2023 diff hist +5‎ Machine learning force field: Theory ‎ →‎Regression
08:5008:50, 19 June 2023 diff hist +5‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression
08:4908:49, 19 June 2023 diff hist +452‎ Machine learning force field: Theory ‎ →‎Bayesian linear regression

13:0613:06, 16 June 2023 diff hist −22‎ Machine learning force field: Theory ‎ →‎Regression
13:0513:05, 16 June 2023 diff hist +1‎ Machine learning force field: Theory ‎ →‎Regression
13:0513:05, 16 June 2023 diff hist +136‎ Machine learning force field: Theory ‎ →‎Regression
12:5212:52, 16 June 2023 diff hist +32,971‎ N Machine learning force field: Theory ‎ Created page with "Here we present the theory for on-the-fly machine learning force fields. The theory will be presented in a very condensed manner and for a more detailed description of the met..."

14:2214:22, 31 May 2023 diff hist +1,259‎ Known issues ‎No edit summary Tag: Visual edit: Switched

10:0610:06, 11 May 2023 diff hist −1‎ POSCAR ‎ →‎Full format specification
10:0610:06, 11 May 2023 diff hist +187‎ POSCAR ‎ →‎Full format specification
10:0510:05, 11 May 2023 diff hist +30‎ POSCAR ‎ →‎File format
10:0310:03, 11 May 2023 diff hist −27‎ POSCAR ‎ →‎File format
10:0310:03, 11 May 2023 diff hist +1‎ POSCAR ‎ →‎File format
10:0210:02, 11 May 2023 diff hist −4‎ POSCAR ‎ →‎File format
10:0210:02, 11 May 2023 diff hist +30‎ POSCAR ‎ →‎Minimal example
10:0110:01, 11 May 2023 diff hist +156‎ POSCAR ‎ →‎File format
09:5809:58, 11 May 2023 diff hist −1‎ Best practices for machine-learned force fields ‎No edit summary
09:5809:58, 11 May 2023 diff hist +18‎ Best practices for machine-learned force fields ‎ →‎Best practice training modes

08:1108:11, 9 May 2023 diff hist +74‎ ML LMAX2 ‎No edit summary current
08:0908:09, 9 May 2023 diff hist −67‎ ML LMAX2 ‎No edit summary
08:0608:06, 9 May 2023 diff hist −14‎ ML MRB1 ‎No edit summary current Tag: Visual edit: Switched
08:0608:06, 9 May 2023 diff hist −57‎ ML MRB1 ‎No edit summary
08:0508:05, 9 May 2023 diff hist −73‎ ML RCUT1 ‎No edit summary

Retrieved from "https://www.vasp.at/wiki/index.php/Special:Contributions/Karsai"