User contributions for Karsai
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
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
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