User contributions for Karsai
26 April 2024
- 09:1609:16, 26 April 2024 diff hist +129 ML DESC TYPE No edit summary current
- 07:3707:37, 26 April 2024 diff hist +91 Template:Table - Output interval options No edit summary current
24 April 2024
- 13:2513:25, 24 April 2024 diff hist 0 Machine learning force field: Theory →Descriptors current
11 April 2024
- 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
20 March 2024
- 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
1 March 2024
- 21:5121:51, 1 March 2024 diff hist +3 MDALGO →{{TAG|MDALGO}}=5: Canonical sampling through velocity-rescaling (CSVR thermostat)
- 21:5121:51, 1 March 2024 diff hist +1 MDALGO →{{TAG|MDALGO}}=5: Canonical sampling through velocity-rescaling (CSVR thermostat)
- 21:5021:50, 1 March 2024 diff hist +75 MDALGO →{{TAG|MDALGO}}=5: Canonical sampling through velocity-rescaling (CSVR thermostat)
17 February 2024
- 08:4208:42, 17 February 2024 diff hist −8 CHG No edit summary current
16 February 2024
- 22:4422:44, 16 February 2024 diff hist −8 CHGCAR No edit summary current
9 February 2024
- 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
8 February 2024
- 09:1909:19, 8 February 2024 diff hist +7 Construction:Best practices for machine-learned force fields No edit summary
7 February 2024
- 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
10 January 2024
- 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
9 January 2024
- 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
8 January 2024
- 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
5 January 2024
- 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
28 November 2023
- 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 November 2023
- 11:0711:07, 11 November 2023 diff hist +1 ML LCOUPLE No edit summary current
19 October 2023
- 15:0915:09, 19 October 2023 diff hist +60 Construction:Best practices for machine-learned force fields →Memory reduction in on-the-fly calculations
- 15:0815:08, 19 October 2023 diff hist +5 Construction:Best practices for machine-learned force fields →Memory reduction in on-the-fly calculations
- 11:2911:29, 19 October 2023 diff hist +118 Construction:Best practices for machine-learned force fields →Memory reduction in on-the-fly calculations
- 11:2311:23, 19 October 2023 diff hist −5 Construction:Best practices for machine-learned force fields →Memory reduction in on-the-fly calculations
- 11:2011:20, 19 October 2023 diff hist −12 Construction:Best practices for machine-learned force fields →Memory consumption
- 11:1711:17, 19 October 2023 diff hist −1 Construction:Best practices for machine-learned force fields →Memory consumption
- 11:1711:17, 19 October 2023 diff hist +1 Construction:Best practices for machine-learned force fields →Memory consumption
- 11:1711:17, 19 October 2023 diff hist +262 Construction:Best practices for machine-learned force fields →Memory consumption
- 11:1111:11, 19 October 2023 diff hist +1 Construction:Best practices for machine-learned force fields →Memory reduction in on-the-fly calculations
- 11:0811:08, 19 October 2023 diff hist +79 Construction:Best practices for machine-learned force fields →Memory reduction in on-the-fly calculations
- 10:5410:54, 19 October 2023 diff hist +12 Construction:Best practices for machine-learned force fields →Memory reduction in on-the-fly calculations
- 10:4410:44, 19 October 2023 diff hist +1 Construction:Best practices for machine-learned force fields →Computational speed in production runs
- 10:4410:44, 19 October 2023 diff hist −1 Construction:Best practices for machine-learned force fields →Computational speed in production runs
18 October 2023
- 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
13 October 2023
- 09:3009:30, 13 October 2023 diff hist −4 ML SCLC CTIFOR No edit summary current
15 September 2023
- 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
18 August 2023
- 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 July 2023
- 12:5812:58, 12 July 2023 diff hist +8 Nose-Hoover-chain thermostat No edit summary current
11 July 2023
- 08:3408:34, 11 July 2023 diff hist +301 Construction:Best practices for machine-learned force fields →Computational speed in production runs
10 July 2023
- 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..."
3 July 2023
- 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
20 June 2023
- 16:5816:58, 20 June 2023 diff hist +4 Machine learning force field: Theory →Bayesian linear regression
19 June 2023
- 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
16 June 2023
- 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..."
31 May 2023
- 14:2214:22, 31 May 2023 diff hist +1,259 Known issues No edit summary Tag: Visual edit: Switched
11 May 2023
- 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
9 May 2023
- 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
28 April 2023
- 09:2209:22, 28 April 2023 diff hist −114 ML MCONF No edit summary current
- 09:0309:03, 28 April 2023 diff hist +781 ML MCONF No edit summary
27 April 2023
- 12:4212:42, 27 April 2023 diff hist 0 Best practices for machine-learned force fields →Best practice training modes
26 April 2023
- 20:4720:47, 26 April 2023 diff hist +59 ML SIGW0 No edit summary
- 20:4020:40, 26 April 2023 diff hist −27 ML NMDINT No edit summary
- 20:4020:40, 26 April 2023 diff hist +85 ML NMDINT No edit summary
25 April 2023
- 12:1012:10, 25 April 2023 diff hist +61 ML LFAST No edit summary
- 07:5107:51, 25 April 2023 diff hist −1 ML LBASIS DISCARD No edit summary current
24 April 2023
- 14:0514:05, 24 April 2023 diff hist +1 ML CDOUB No edit summary
- 14:0514:05, 24 April 2023 diff hist +1 ML EPS LOW No edit summary
- 14:0414:04, 24 April 2023 diff hist +1 ML EPS LOW No edit summary
- 14:0414:04, 24 April 2023 diff hist +68 ML EPS LOW No edit summary
- 13:5713:57, 24 April 2023 diff hist +58 ML CDOUB No edit summary
19 April 2023
- 09:4809:48, 19 April 2023 diff hist +6 ML IWEIGHT No edit summary current
14 April 2023
- 09:1309:13, 14 April 2023 diff hist −2,914 Best practices for machine-learned force fields No edit summary
- 09:1209:12, 14 April 2023 diff hist +4,973 ML MODE No edit summary
- 09:1109:11, 14 April 2023 diff hist +1,424 ML MB No edit summary
- 09:0909:09, 14 April 2023 diff hist +519 ML ICRITERIA No edit summary current
31 March 2023
- 14:3714:37, 31 March 2023 diff hist +115 ML LFAST No edit summary
- 14:3614:36, 31 March 2023 diff hist +94 ML LFAST No edit summary
- 14:3414:34, 31 March 2023 diff hist −69 ML LFAST No edit summary
- 14:3114:31, 31 March 2023 diff hist −90 ML LFAST No edit summary
- 14:2914:29, 31 March 2023 diff hist −176 ML LFAST No edit summary
- 14:2714:27, 31 March 2023 diff hist +44 ML LFAST No edit summary
- 14:2614:26, 31 March 2023 diff hist −32 ML LFAST No edit summary
- 14:2514:25, 31 March 2023 diff hist +57 ML OUTPUT MODE No edit summary
- 14:2514:25, 31 March 2023 diff hist +57 ML OUTBLOCK No edit summary
- 14:2514:25, 31 March 2023 diff hist +57 ML IERR No edit summary current
- 14:2514:25, 31 March 2023 diff hist +57 ML MODE No edit summary
- 14:2414:24, 31 March 2023 diff hist −89 ML MODE No edit summary
- 14:2114:21, 31 March 2023 diff hist +65 ML ICRITERIA No edit summary
- 14:2014:20, 31 March 2023 diff hist +98 ML ICRITERIA No edit summary
- 14:1614:16, 31 March 2023 diff hist +82 ML ICRITERIA No edit summary
- 14:1514:15, 31 March 2023 diff hist +4 ML IALGO LINREG No edit summary
- 14:1314:13, 31 March 2023 diff hist −1 ML IALGO LINREG No edit summary
- 14:1214:12, 31 March 2023 diff hist +17 ML IALGO LINREG No edit summary
- 14:1114:11, 31 March 2023 diff hist +58 ML IALGO LINREG No edit summary
- 14:0014:00, 31 March 2023 diff hist −124 ML OUTBLOCK No edit summary
- 13:5813:58, 31 March 2023 diff hist +4 ML OUTBLOCK No edit summary
- 13:5813:58, 31 March 2023 diff hist −2 ML OUTBLOCK No edit summary
- 13:5713:57, 31 March 2023 diff hist −107 ML OUTBLOCK No edit summary
- 13:5713:57, 31 March 2023 diff hist −2 ML OUTPUT MODE No edit summary
- 13:5713:57, 31 March 2023 diff hist −107 ML OUTPUT MODE No edit summary
- 13:5613:56, 31 March 2023 diff hist 0 ML SCLC CTIFOR No edit summary
- 13:5613:56, 31 March 2023 diff hist +17 ML SIGW0 No edit summary
- 11:5611:56, 31 March 2023 diff hist −14 ML MRB2 No edit summary current
- 11:5511:55, 31 March 2023 diff hist +1 ML MRB1 No edit summary
- 11:5511:55, 31 March 2023 diff hist −13 ML RCUT2 No edit summary
- 11:5511:55, 31 March 2023 diff hist 0 ML RCUT1 No edit summary
- 11:5411:54, 31 March 2023 diff hist 0 ML LMAX2 No edit summary
29 March 2023
- 09:2309:23, 29 March 2023 diff hist −32 ML IERR No edit summary
- 09:2309:23, 29 March 2023 diff hist −75 ML IERR No edit summary
- 09:2109:21, 29 March 2023 diff hist +23 ML IALGO LINREG No edit summary
- 09:2009:20, 29 March 2023 diff hist +89 ML IALGO LINREG No edit summary
- 09:1809:18, 29 March 2023 diff hist +18 ML IALGO LINREG No edit summary
- 09:1709:17, 29 March 2023 diff hist −182 ML IALGO LINREG No edit summary
- 09:1609:16, 29 March 2023 diff hist +637 ML IALGO LINREG No edit summary
- 08:2808:28, 29 March 2023 diff hist +107 ML IALGO LINREG No edit summary
- 08:2608:26, 29 March 2023 diff hist 0 ML IALGO LINREG No edit summary
- 08:2608:26, 29 March 2023 diff hist +53 ML IALGO LINREG No edit summary
- 08:2208:22, 29 March 2023 diff hist 0 ML IERR →Related tags and articles
- 08:2108:21, 29 March 2023 diff hist +80 ML IERR No edit summary
- 08:1908:19, 29 March 2023 diff hist −587 ML LERR No edit summary
- 08:1808:18, 29 March 2023 diff hist +91 ML LERR No edit summary
- 08:0908:09, 29 March 2023 diff hist −2 ML ISTART No edit summary
- 08:0908:09, 29 March 2023 diff hist +8 ML ISTART No edit summary
- 07:3107:31, 29 March 2023 diff hist −2 Category:Machine-learned force fields →Input
28 March 2023
- 21:5721:57, 28 March 2023 diff hist −2 ML IERR →Related tags and articles
- 21:5621:56, 28 March 2023 diff hist +4 ML IERR No edit summary
- 21:5621:56, 28 March 2023 diff hist +4 ML IERR No edit summary
- 21:5521:55, 28 March 2023 diff hist −107 ML IERR No edit summary
- 21:5521:55, 28 March 2023 diff hist +87 ML IERR No edit summary
- 21:5021:50, 28 March 2023 diff hist +6 ML IERR No edit summary
- 21:4921:49, 28 March 2023 diff hist −2 ML IERR No edit summary
- 21:4921:49, 28 March 2023 diff hist −6 ML IERR No edit summary
- 21:4921:49, 28 March 2023 diff hist 0 ML IERR No edit summary
- 21:4821:48, 28 March 2023 diff hist +2 ML IERR No edit summary
- 21:4821:48, 28 March 2023 diff hist +43 ML IERR No edit summary
- 21:4621:46, 28 March 2023 diff hist +38 ML IERR No edit summary
- 08:2508:25, 28 March 2023 diff hist +269 ML ISTART No edit summary
- 08:0808:08, 28 March 2023 diff hist +65 ML MODE →Related tags and articles
- 08:0608:06, 28 March 2023 diff hist +32 ML MODE No edit summary
- 08:0508:05, 28 March 2023 diff hist +1 ML MODE No edit summary
- 08:0308:03, 28 March 2023 diff hist −1 ML MODE No edit summary
27 March 2023
- 14:3014:30, 27 March 2023 diff hist +40 ML MODE No edit summary
- 14:2914:29, 27 March 2023 diff hist +32 ML MODE No edit summary
- 14:2714:27, 27 March 2023 diff hist +2,064 ML MODE No edit summary
- 13:4513:45, 27 March 2023 diff hist +1 ML ISTART No edit summary
- 13:4513:45, 27 March 2023 diff hist +80 ML ISTART No edit summary
7 March 2023
- 15:1015:10, 7 March 2023 diff hist 0 Known issues No edit summary
- 13:2813:28, 7 March 2023 diff hist +676 Known issues No edit summary
- 13:0613:06, 7 March 2023 diff hist +214 Known issues No edit summary
- 08:1808:18, 7 March 2023 diff hist +449 Known issues No edit summary
- 08:1208:12, 7 March 2023 diff hist +375 Known issues No edit summary
22 February 2023
- 18:2218:22, 22 February 2023 diff hist +7 ML SCLC CTIFOR No edit summary
25 January 2023
- 11:4011:40, 25 January 2023 diff hist −107 ML IERR No edit summary
- 11:3311:33, 25 January 2023 diff hist +303 ML ISTART No edit summary
- 11:3011:30, 25 January 2023 diff hist +33 ML MODE No edit summary
- 11:2911:29, 25 January 2023 diff hist −16 ML MODE No edit summary
- 11:2811:28, 25 January 2023 diff hist +37 ML MODE No edit summary
20 January 2023
- 13:2213:22, 20 January 2023 diff hist +239 ML LFAST No edit summary
- 13:1413:14, 20 January 2023 diff hist +18 ML OUTBLOCK No edit summary
- 13:0913:09, 20 January 2023 diff hist +26 ML LFAST No edit summary
- 13:0813:08, 20 January 2023 diff hist −6 ML LFAST No edit summary
- 13:0713:07, 20 January 2023 diff hist +11 ML LFAST No edit summary
- 13:0713:07, 20 January 2023 diff hist +11 ML MODE No edit summary
- 13:0613:06, 20 January 2023 diff hist +11 ML OUTPUT MODE No edit summary
- 13:0613:06, 20 January 2023 diff hist +52 ML OUTBLOCK No edit summary
- 13:0213:02, 20 January 2023 diff hist +49 ML MODE No edit summary
- 13:0113:01, 20 January 2023 diff hist −3 ML MODE No edit summary
- 13:0113:01, 20 January 2023 diff hist +23 ML MODE No edit summary
11 January 2023
- 14:2314:23, 11 January 2023 diff hist −2 ML LFAST No edit summary
- 14:2214:22, 11 January 2023 diff hist +2 ML LFAST No edit summary
- 14:2114:21, 11 January 2023 diff hist −5 ML LFAST No edit summary
- 14:2114:21, 11 January 2023 diff hist −39 ML LFAST No edit summary
- 14:2114:21, 11 January 2023 diff hist −37 ML LFAST No edit summary
- 14:1714:17, 11 January 2023 diff hist −1 ML MODE No edit summary
- 14:1714:17, 11 January 2023 diff hist +121 ML MODE No edit summary
- 13:3813:38, 11 January 2023 diff hist +408 ML MODE No edit summary
9 January 2023
- 08:2908:29, 9 January 2023 diff hist +250 ML MODE No edit summary
- 08:2608:26, 9 January 2023 diff hist +253 ML MODE No edit summary
- 08:2208:22, 9 January 2023 diff hist +10 ML MODE No edit summary
- 08:2208:22, 9 January 2023 diff hist +562 ML MODE No edit summary
- 08:1708:17, 9 January 2023 diff hist +308 N ML MODE Created page with "{{DISPLAYTITLE:ML_MODE}} {{TAGDEF|ML_MODE|[string]|NONE}} == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_LFAST}}, {{TAG|ML_IERR}}, {{TAG|ML_OUT..."
- 08:1508:15, 9 January 2023 diff hist −1 ML LFAST No edit summary
5 January 2023
- 10:3410:34, 5 January 2023 diff hist +258 ML LFAST No edit summary
20 December 2022
- 14:0514:05, 20 December 2022 diff hist +258 ML LFAST No edit summary
9 December 2022
- 13:2413:24, 9 December 2022 diff hist +60 POSCAR.prim No edit summary
- 13:2313:23, 9 December 2022 diff hist −8 POSCAR.prim No edit summary
7 December 2022
- 13:4713:47, 7 December 2022 diff hist +556 N ML LERR Created page with "{{DISPLAYTITLE:ML_LERR}} {{TAGDEF|ML_LERR|[logical]|.TRUE.}} Description: Decides whether the Bayesian error estimates are calculated and written out or not. ---- If the Baye..."
2 December 2022
- 13:1313:13, 2 December 2022 diff hist +147 ML OUTBLOCK No edit summary
- 13:1013:10, 2 December 2022 diff hist −1 ML OUTPUT MODE No edit summary
21 November 2022
- 12:1012:10, 21 November 2022 diff hist +64 ML OUTPUT MODE No edit summary
- 12:1012:10, 21 November 2022 diff hist +64 ML OUTBLOCK No edit summary
- 12:1012:10, 21 November 2022 diff hist +64 ML IERR No edit summary
- 12:1012:10, 21 November 2022 diff hist −10 ML LFAST No edit summary
- 12:0912:09, 21 November 2022 diff hist +240 Category:Development version No edit summary current
- 12:0712:07, 21 November 2022 diff hist +51 N Category:Development version Created page with "---- Machine-learned force fields"
- 12:0712:07, 21 November 2022 diff hist +10 ML OUTPUT MODE No edit summary
- 12:0412:04, 21 November 2022 diff hist +1 ML OUTPUT MODE No edit summary Tag: Visual edit: Switched
- 12:0412:04, 21 November 2022 diff hist −4 ML OUTPUT MODE No edit summary
- 12:0312:03, 21 November 2022 diff hist +737 N ML OUTPUT MODE Created page with "{{DISPLAYTITLE:ML_OUTPUT_MODE}} {{TAGDEF|ML_OUTPUT_MODE|[integer]|1} Description: This tag decides the output verbosity of the molecular-dynamics calculation using machine le..."
- 11:5911:59, 21 November 2022 diff hist +1 ML OUTBLOCK No edit summary
- 11:5811:58, 21 November 2022 diff hist +1,021 N ML OUTBLOCK Created page with "{{DISPLAYTITLE:ML_OUTBLOCK}} {{TAGDEF|ML_OUTBLOCK|[integer]|1}} Description: Output frequency of the molecular-dynamics results for {{TAG|ML_ISTART}}=2. ---- This tag determi..."
- 11:4811:48, 21 November 2022 diff hist +4 ML LFAST No edit summary
- 11:4611:46, 21 November 2022 diff hist +3 ML IERR No edit summary
- 11:4511:45, 21 November 2022 diff hist +96 ML IERR No edit summary
- 11:4411:44, 21 November 2022 diff hist −14 ML IERR No edit summary
- 11:4311:43, 21 November 2022 diff hist +66 ML IERR No edit summary
- 11:4211:42, 21 November 2022 diff hist −7 ML IERR No edit summary
- 11:4111:41, 21 November 2022 diff hist +909 ML IERR No edit summary
- 11:2311:23, 21 November 2022 diff hist +79 ML IERR No edit summary
- 11:2011:20, 21 November 2022 diff hist −37 ML IERR No edit summary
- 11:2011:20, 21 November 2022 diff hist +120 ML IERR →Related tags and articles
- 11:1711:17, 21 November 2022 diff hist +232 N ML IERR Created page with "== Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_LFAST}}, {{TAG|ML_OUTBLOCK}}, {{TAG|ML_OUTPUT_MODE}} ---- Category:INCAR tagCategory:Machi..."
- 09:5709:57, 21 November 2022 diff hist +482 ML LFAST No edit summary
- 09:3709:37, 21 November 2022 diff hist +45 ML LFAST No edit summary
- 09:3609:36, 21 November 2022 diff hist +32 ML LFAST No edit summary
- 09:3509:35, 21 November 2022 diff hist +17 ML LFAST →Related tags and articles
- 09:3409:34, 21 November 2022 diff hist +1 ML LFAST No edit summary
- 09:3409:34, 21 November 2022 diff hist +655 N ML LFAST Created page with "{{DISPLAYTITLE:ML_LFAST}} {{TAGDEF|ML_LFAST|[logical]|.FALSE.}} Description: This tag switches on the very fast execution mode for {{TAG|ML_ISTART}}=2. ---- Until now this ta..."
4 November 2022
- 14:2014:20, 4 November 2022 diff hist +1 ML LCOUPLE No edit summary
24 October 2022
- 11:5911:59, 24 October 2022 diff hist −2 ML REG No edit summary
- 11:4511:45, 24 October 2022 diff hist +54 ML REG No edit summary
- 11:4411:44, 24 October 2022 diff hist +261 ML REG No edit summary
- 11:0311:03, 24 October 2022 diff hist +315 ML REG No edit summary
- 10:5410:54, 24 October 2022 diff hist +1,319 ML REG No edit summary
- 10:5210:52, 24 October 2022 diff hist +106 ML REG No edit summary
18 October 2022
- 15:2415:24, 18 October 2022 diff hist 0 ICONST No edit summary
14 October 2022
- 09:1509:15, 14 October 2022 diff hist +5 ML AB →Merging different ML_AB files
- 09:1209:12, 14 October 2022 diff hist −5 ML AB →Training structure data format
- 09:0909:09, 14 October 2022 diff hist +19 ML AB →Header specification
- 09:0509:05, 14 October 2022 diff hist +1 ML AB No edit summary
13 October 2022
- 13:5813:58, 13 October 2022 diff hist +141 ML AB No edit summary
- 13:4513:45, 13 October 2022 diff hist −58 ML AB No edit summary
- 12:2212:22, 13 October 2022 diff hist −3 ML LCOUPLE No edit summary
12 October 2022
- 13:3913:39, 12 October 2022 diff hist +171 ML AB →Training structure data
- 13:3613:36, 12 October 2022 diff hist −2 ML AB →Merging different ML_AB files
- 13:3513:35, 12 October 2022 diff hist +19 ML AB →Merging different ML_AB files
- 13:3313:33, 12 October 2022 diff hist +3 ML AB →Training structure data
- 13:3213:32, 12 October 2022 diff hist −2 ML AB →Header
- 13:3013:30, 12 October 2022 diff hist +1 ML AB No edit summary
- 13:2913:29, 12 October 2022 diff hist +72 ML AB No edit summary
- 13:2813:28, 12 October 2022 diff hist 0 ML AB No edit summary
- 13:2613:26, 12 October 2022 diff hist +4 ML AB →Header
- 13:2613:26, 12 October 2022 diff hist +242 ML AB No edit summary
- 13:2113:21, 12 October 2022 diff hist −2 ML AB →Merging different ML_AB files
- 13:2113:21, 12 October 2022 diff hist −5 ML AB →How to merge different ML_AB files
- 13:1813:18, 12 October 2022 diff hist +21 ML AB →How to merge different ML_AB files
- 13:1713:17, 12 October 2022 diff hist +220 ML AB →How to merge different ML_AB files
- 12:2012:20, 12 October 2022 diff hist +6 ML AB →Header
- 12:2012:20, 12 October 2022 diff hist −4,492 ML AB No edit summary
- 12:1812:18, 12 October 2022 diff hist +16,025 ML AB No edit summary
- 12:1112:11, 12 October 2022 diff hist +2,025 ML AB No edit summary
- 11:5011:50, 12 October 2022 diff hist +1,382 ML AB No edit summary
- 09:5109:51, 12 October 2022 diff hist −18 ML AB No edit summary
- 09:5009:50, 12 October 2022 diff hist +3 ML AB No edit summary
- 09:4909:49, 12 October 2022 diff hist +1,439 ML AB No edit summary
- 08:5308:53, 12 October 2022 diff hist +1,720 ML AB No edit summary
7 October 2022
- 11:1811:18, 7 October 2022 diff hist +13 PENALTYPOT No edit summary
- 11:1811:18, 7 October 2022 diff hist +5 PENALTYPOT No edit summary
- 11:1711:17, 7 October 2022 diff hist −8 PENALTYPOT No edit summary
12 September 2022
- 09:1109:11, 12 September 2022 diff hist +765 Best practices for machine-learned force fields →Monitoring
- 08:4308:43, 12 September 2022 diff hist +314 Best practices for machine-learned force fields →Monitoring
- 08:3608:36, 12 September 2022 diff hist 0 Best practices for machine-learned force fields →Monitoring
- 08:3608:36, 12 September 2022 diff hist +7 Best practices for machine-learned force fields →Monitoring
- 08:3508:35, 12 September 2022 diff hist −1 Best practices for machine-learned force fields →Monitoring
- 08:3408:34, 12 September 2022 diff hist −9 Best practices for machine-learned force fields →Monitoring
- 08:3108:31, 12 September 2022 diff hist +87 Best practices for machine-learned force fields →Monitoring
8 September 2022
- 07:2107:21, 8 September 2022 diff hist +20 PHON TLIST No edit summary
- 07:2107:21, 8 September 2022 diff hist +20 PHON NTLIST No edit summary
- 07:2107:21, 8 September 2022 diff hist +20 PHON NSTRUCT No edit summary
- 07:2007:20, 8 September 2022 diff hist +20 PHON LMC No edit summary
- 07:2007:20, 8 September 2022 diff hist +20 PHON LBOSE No edit summary
7 September 2022
- 12:2312:23, 7 September 2022 diff hist +7 TEEND No edit summary current
- 12:2212:22, 7 September 2022 diff hist +10 TEBEG No edit summary current
29 August 2022
- 12:3612:36, 29 August 2022 diff hist +20 ML LBASIS DISCARD →Related tags and articles
- 11:2311:23, 29 August 2022 diff hist +7 NpH ensemble No edit summary
- 11:2111:21, 29 August 2022 diff hist +26 NpT ensemble No edit summary
- 11:2011:20, 29 August 2022 diff hist 0 NpT ensemble No edit summary
- 11:1911:19, 29 August 2022 diff hist +2 NpT ensemble No edit summary
- 11:1811:18, 29 August 2022 diff hist +3 NpT ensemble No edit summary
- 11:1811:18, 29 August 2022 diff hist +247 NpT ensemble No edit summary
- 11:1211:12, 29 August 2022 diff hist −5 Electron-phonon interactions from Monte-Carlo sampling No edit summary
26 August 2022
- 13:5613:56, 26 August 2022 diff hist 0 Best practices for machine-learned force fields →Continuation runs and retraining without re-selection of local reference configurations
- 13:5113:51, 26 August 2022 diff hist +282 Best practices for machine-learned force fields →Retraining with re-selection of local reference configurations
- 13:5013:50, 26 August 2022 diff hist −1 Best practices for machine-learned force fields →Retraining
- 13:5013:50, 26 August 2022 diff hist +1,356 Best practices for machine-learned force fields No edit summary
- 13:2813:28, 26 August 2022 diff hist −9 ML ISTART No edit summary
- 13:2813:28, 26 August 2022 diff hist +3 ML ISTART No edit summary
- 13:2713:27, 26 August 2022 diff hist −3 ML ISTART No edit summary
- 13:2713:27, 26 August 2022 diff hist +21 ML ISTART No edit summary
- 13:2713:27, 26 August 2022 diff hist −1 ML ISTART No edit summary
- 13:2613:26, 26 August 2022 diff hist −1 ML ISTART Undo revision 18922 by Karsai (talk) Tag: Undo
- 13:2613:26, 26 August 2022 diff hist +1 ML ISTART Undo revision 18921 by Karsai (talk) Tag: Undo
- 13:2513:25, 26 August 2022 diff hist −1 ML ISTART No edit summary
- 13:2413:24, 26 August 2022 diff hist +1 ML ISTART No edit summary
- 13:2413:24, 26 August 2022 diff hist −16 ML ISTART No edit summary
- 13:2313:23, 26 August 2022 diff hist −5 ML ISTART No edit summary
22 August 2022
- 12:2212:22, 22 August 2022 diff hist +1 NpT ensemble No edit summary
- 12:2212:22, 22 August 2022 diff hist +1 NpT ensemble No edit summary
- 12:2112:21, 22 August 2022 diff hist +2 NpT ensemble No edit summary
11 August 2022
- 17:2817:28, 11 August 2022 diff hist +61 Best practices for machine-learned force fields →Basics
10 August 2022
- 12:5012:50, 10 August 2022 diff hist −1 Construction:Memory requirement for machine-learned force fields No edit summary current
- 12:4912:49, 10 August 2022 diff hist 0 Construction:Memory requirement for machine-learned force fields →Memory monitoring
- 12:4912:49, 10 August 2022 diff hist +4 Construction:Memory requirement for machine-learned force fields →Memory output
- 12:4912:49, 10 August 2022 diff hist +9 Construction:Memory requirement for machine-learned force fields →Memory output
- 12:4812:48, 10 August 2022 diff hist −40 Construction:Memory requirement for machine-learned force fields No edit summary