User contributions for Karsai
27 May 2024
- 07:1507:15, 27 May 2024 diff hist +42 Construction:Machine learning force field: Theory →Prediction and error estimates
- 07:1307:13, 27 May 2024 diff hist 0 Construction:Machine learning force field: Theory No edit summary
- 07:1307:13, 27 May 2024 diff hist −7 Machine learning force field: Theory No edit summary
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
24 April 2024
11 April 2024
- 07:1507:15, 11 April 2024 diff hist +17 Best practices for machine-learned force fields →Reduced descriptors
- 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
- 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
7 February 2024
- 22:1622:16, 7 February 2024 diff hist 0 N File:Pareto Azobenzene.png No edit summary current
- 21:5621:56, 7 February 2024 diff hist 0 N File:Pareto Ethanol.png No edit summary current
- 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
- 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
10 January 2024
- 11:1611:16, 10 January 2024 diff hist +10,136 Best practices for machine-learned force fields No edit summary
8 January 2024
- 13:3713:37, 8 January 2024 diff hist +243 Template:Cite No edit summary
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
18 October 2023
- 10:5210:52, 18 October 2023 diff hist −29 PENALTYPOT →Related tags and articles
- 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
- 10:1810:18, 18 October 2023 diff hist −29 Category:Metadynamics →References
13 October 2023
- 09:3009:30, 13 October 2023 diff hist −4 ML SCLC CTIFOR No edit summary
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
- 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
10 July 2023
- 11:0611:06, 10 July 2023 diff hist −2 ML OUTBLOCK No edit summary