User contributions for Karsai
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