User contributions for Karsai
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 current
- 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