User contributions for Jona
12 June 2024
- 12:5912:59, 12 June 2024 diff hist 0 File:FMP method convergence.png Jona uploaded a new version of File:FMP method convergence.png current
- 11:4111:41, 12 June 2024 diff hist +136 N File:FMP method convergence.png Shows how the thermal conductivity lambda converges with the number of MD steps by utilizing the Mueller-Plathe-Method FMP
5 June 2024
- 14:0014:00, 5 June 2024 diff hist 0 Known issues No edit summary
- 14:0014:00, 5 June 2024 diff hist +3 Known issues No edit summary
- 13:5913:59, 5 June 2024 diff hist +725 Known issues No edit summary
29 April 2024
- 10:3010:30, 29 April 2024 diff hist +14 VCAIMAGES mentioning the stress tensor is also averaged after 6.4.3 release Tag: Visual edit
4 March 2024
- 15:1715:17, 4 March 2024 diff hist +285 Known issues No edit summary
9 February 2024
- 18:2918:29, 9 February 2024 diff hist +2 Category:Forces →RPA-forces
5 February 2024
- 10:3410:34, 5 February 2024 diff hist 0 LATTICE CONSTRAINTS No edit summary
- 10:0210:02, 5 February 2024 diff hist 0 LATTICE CONSTRAINTS →Non-orthorhombic case
1 February 2024
- 14:4214:42, 1 February 2024 diff hist −149 Category:Forces →RPA-forces
31 January 2024
- 18:0918:09, 31 January 2024 diff hist +2 LATTICE CONSTRAINTS No edit summary
- 17:0617:06, 31 January 2024 diff hist +3 LATTICE CONSTRAINTS No edit summary
- 17:0617:06, 31 January 2024 diff hist 0 LATTICE CONSTRAINTS No edit summary
- 17:0517:05, 31 January 2024 diff hist +2 LATTICE CONSTRAINTS No edit summary
- 17:0517:05, 31 January 2024 diff hist −17 LATTICE CONSTRAINTS No edit summary
- 17:0117:01, 31 January 2024 diff hist −17 LATTICE CONSTRAINTS No edit summary
- 16:5916:59, 31 January 2024 diff hist −10 LATTICE CONSTRAINTS →Orthorhombic case
- 16:5816:58, 31 January 2024 diff hist 0 LATTICE CONSTRAINTS No edit summary
- 16:5816:58, 31 January 2024 diff hist +2,059 LATTICE CONSTRAINTS No edit summary
- 08:5608:56, 31 January 2024 diff hist +66 LRPAFORCE No edit summary
- 08:3908:39, 31 January 2024 diff hist +51 Category:Forces →How To
- 08:3308:33, 31 January 2024 diff hist +131 Category:Forces →RPA-forces
29 January 2024
- 09:0809:08, 29 January 2024 diff hist +826 Category:Forces →RPA-forces
25 January 2024
- 10:1710:17, 25 January 2024 diff hist +41 ICONST →Related tags and articles
16 January 2024
- 09:2809:28, 16 January 2024 diff hist +55 Best practices for machine-learned force fields →Reduction of memory consumption in on-the-fly calculations
- 09:2409:24, 16 January 2024 diff hist −5 Best practices for machine-learned force fields →Reduction of memory consumption in on-the-fly calculations
- 09:2309:23, 16 January 2024 diff hist −6 Best practices for machine-learned force fields →Reduction of memory consumption in on-the-fly calculations
- 09:2209:22, 16 January 2024 diff hist −1 Best practices for machine-learned force fields →Memory consumption
- 09:2209:22, 16 January 2024 diff hist −7 Best practices for machine-learned force fields →Memory consumption
- 09:1409:14, 16 January 2024 diff hist −8 Best practices for machine-learned force fields →Memory consumption
- 09:1209:12, 16 January 2024 diff hist +8 Best practices for machine-learned force fields →Memory consumption
- 09:0809:08, 16 January 2024 diff hist −1 Best practices for machine-learned force fields →Memory consumption
- 09:0809:08, 16 January 2024 diff hist +4 Best practices for machine-learned force fields →Memory consumption
- 09:0009:00, 16 January 2024 diff hist 0 Best practices for machine-learned force fields →Memory consumption
- 08:5808:58, 16 January 2024 diff hist +11 Best practices for machine-learned force fields →Computational efficiency in production runs
- 08:5708:57, 16 January 2024 diff hist −48 Best practices for machine-learned force fields →Computational efficiency in production runs
- 08:5508:55, 16 January 2024 diff hist −7 Best practices for machine-learned force fields →Computational efficiency in production runs
- 08:5308:53, 16 January 2024 diff hist −1 Best practices for machine-learned force fields →Computational efficiency in production runs
- 08:5308:53, 16 January 2024 diff hist −13 Best practices for machine-learned force fields →Computational efficiency in production runs
- 08:5008:50, 16 January 2024 diff hist −5 Best practices for machine-learned force fields →Monitoring MLFF run with blocked averages
- 08:4908:49, 16 January 2024 diff hist +139 Best practices for machine-learned force fields →Monitoring MLFF run with blocked averages
7 December 2023
- 16:4916:49, 7 December 2023 diff hist +1 ML EATOM No edit summary current
- 16:4916:49, 7 December 2023 diff hist +434 ML EATOM No edit summary
5 December 2023
- 11:2011:20, 5 December 2023 diff hist +372 RANDOM SEED No edit summary current
- 10:4610:46, 5 December 2023 diff hist −122 SMASS No edit summary
- 07:3007:30, 5 December 2023 diff hist 0 LATTICE CONSTRAINTS No edit summary
20 November 2023
- 07:5607:56, 20 November 2023 diff hist −1 LATTICE CONSTRAINTS No edit summary
- 07:4007:40, 20 November 2023 diff hist 0 LATTICE CONSTRAINTS No edit summary
- 07:4007:40, 20 November 2023 diff hist +114 LATTICE CONSTRAINTS No edit summary