User contributions for Jona
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 current
5 February 2024
- 10:3410:34, 5 February 2024 diff hist 0 LATTICE CONSTRAINTS No edit summary current
- 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 current
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 current
- 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
15 November 2023
- 09:1709:17, 15 November 2023 diff hist +1 ML LSPARSDES No edit summary
- 09:1709:17, 15 November 2023 diff hist −1 ML LSPARSDES No edit summary
- 09:0209:02, 15 November 2023 diff hist +48 ML LSPARSDES No edit summary
20 October 2023
- 09:2009:20, 20 October 2023 diff hist −603 Category:Forces No edit summary
- 09:1809:18, 20 October 2023 diff hist +597 Category:Forces No edit summary
- 09:1809:18, 20 October 2023 diff hist +4 Category:Forces No edit summary
- 09:1809:18, 20 October 2023 diff hist +2 Category:Forces →Theory
- 09:1709:17, 20 October 2023 diff hist −4 Category:Forces →Theory
- 09:0209:02, 20 October 2023 diff hist −3 Category:Forces →Theory
- 09:0209:02, 20 October 2023 diff hist −94 Category:Forces No edit summary
- 09:0209:02, 20 October 2023 diff hist 0 Category:Forces →How To
- 09:0109:01, 20 October 2023 diff hist +218 Category:Forces →How To
19 October 2023
- 14:0214:02, 19 October 2023 diff hist +20 Category:Forces No edit summary
- 13:5813:58, 19 October 2023 diff hist +2 Category:Forces →Related concepts
- 13:5713:57, 19 October 2023 diff hist +53 Category:Forces →Related concepts
- 13:5513:55, 19 October 2023 diff hist −13 Category:Forces →Related concepts
- 13:5513:55, 19 October 2023 diff hist −22 Category:Forces →Related concepts
- 13:5513:55, 19 October 2023 diff hist 0 Category:Forces →Related concepts
- 13:5413:54, 19 October 2023 diff hist +1 Category:Forces →Related concepts
- 13:5413:54, 19 October 2023 diff hist +348 Category:Forces →Related concepts
- 08:5808:58, 19 October 2023 diff hist −29 Category:Forces →Related concepts
- 08:5708:57, 19 October 2023 diff hist 0 Category:Forces →Introduction
- 08:5708:57, 19 October 2023 diff hist +76 Category:Forces →Introduction
- 08:5608:56, 19 October 2023 diff hist −76 Category:Forces →Introduction
- 08:5608:56, 19 October 2023 diff hist 0 Category:Forces →Introduction
18 October 2023
- 16:2816:28, 18 October 2023 diff hist 0 Category:Forces →How To
- 16:2716:27, 18 October 2023 diff hist +68 Category:Forces →How To
- 16:2616:26, 18 October 2023 diff hist +43 Category:Forces →Related concepts
- 16:2516:25, 18 October 2023 diff hist +834 Category:Forces →Related concepts
- 16:1816:18, 18 October 2023 diff hist −404 Category:Forces →Related concepts
- 16:1416:14, 18 October 2023 diff hist +848 Category:Forces →Related concepts
- 16:1116:11, 18 October 2023 diff hist +2 Category:Forces →Related concepts
- 16:1116:11, 18 October 2023 diff hist +1,061 Category:Forces →Related concepts
- 16:0016:00, 18 October 2023 diff hist +26 Category:Forces No edit summary
- 15:4415:44, 18 October 2023 diff hist +2 Category:Forces →How To
- 15:4315:43, 18 October 2023 diff hist +1 Category:Forces →How To
- 15:3315:33, 18 October 2023 diff hist +242 Category:Forces →How To
- 15:1115:11, 18 October 2023 diff hist +48 Category:Forces →How To
- 15:1015:10, 18 October 2023 diff hist −5 Category:Forces No edit summary
- 15:1015:10, 18 October 2023 diff hist +78 Category:Forces No edit summary
- 15:0915:09, 18 October 2023 diff hist +305 Category:Forces →Theory
- 15:0515:05, 18 October 2023 diff hist +20 Category:Forces →Theory
- 15:0415:04, 18 October 2023 diff hist −21 Category:Forces →Theory
- 15:0115:01, 18 October 2023 diff hist +491 Category:Forces →Theory
- 13:4013:40, 18 October 2023 diff hist +351 Category:Forces →Theory
- 13:3813:38, 18 October 2023 diff hist −3 Category:Forces →Theory
- 13:3713:37, 18 October 2023 diff hist +1 Category:Forces →Theory
- 13:3713:37, 18 October 2023 diff hist +259 Category:Forces →Theory
- 13:3513:35, 18 October 2023 diff hist +322 Category:Forces →Theory
- 13:3213:32, 18 October 2023 diff hist +285 Category:Forces →Theory
- 13:3013:30, 18 October 2023 diff hist +134 Category:Forces →Theory
- 13:2813:28, 18 October 2023 diff hist +177 Category:Forces →Theory
- 13:2713:27, 18 October 2023 diff hist +75 Category:Forces No edit summary
- 13:2513:25, 18 October 2023 diff hist +120 Category:Forces →Theory
- 13:2413:24, 18 October 2023 diff hist +9 Category:Forces →Theory
- 13:1013:10, 18 October 2023 diff hist −17 Category:Forces →Theory
- 13:0713:07, 18 October 2023 diff hist +1 Category:Forces →Theory
- 13:0713:07, 18 October 2023 diff hist +78 Category:Forces →Theory
- 13:0613:06, 18 October 2023 diff hist +34 Category:Forces →Theory
- 13:0613:06, 18 October 2023 diff hist −113 Category:Forces →Theory
- 13:0613:06, 18 October 2023 diff hist +63 Category:Forces →Theory
- 13:0413:04, 18 October 2023 diff hist +200 Category:Forces →Theory
- 13:0113:01, 18 October 2023 diff hist +31 Category:Forces →Theory
- 13:0013:00, 18 October 2023 diff hist −75 Category:Forces →Theory
- 12:5712:57, 18 October 2023 diff hist +1 Category:Forces →Theory
- 12:5712:57, 18 October 2023 diff hist +15 Category:Forces →Theory
- 12:5612:56, 18 October 2023 diff hist +439 Category:Forces →Theory
- 12:5212:52, 18 October 2023 diff hist +41 Category:Forces →Theory
- 12:5212:52, 18 October 2023 diff hist +84 Category:Forces →Theory
- 12:5012:50, 18 October 2023 diff hist −74 Category:Forces →Theory
- 12:5012:50, 18 October 2023 diff hist −165 Category:Forces →Theory
- 12:4712:47, 18 October 2023 diff hist +560 Category:Forces No edit summary
- 12:3712:37, 18 October 2023 diff hist +216 Category:Forces No edit summary
- 12:3212:32, 18 October 2023 diff hist +159 Category:Forces →Theory
- 12:3012:30, 18 October 2023 diff hist +143 Category:Forces No edit summary
- 12:2812:28, 18 October 2023 diff hist +540 Category:Forces →Theory
- 12:1212:12, 18 October 2023 diff hist +1 Category:Forces No edit summary
- 12:1212:12, 18 October 2023 diff hist +61 Category:Forces No edit summary
- 11:4911:49, 18 October 2023 diff hist +69 Category:Forces →Theory
- 11:4611:46, 18 October 2023 diff hist +1 Category:Forces →Introduction
- 10:2010:20, 18 October 2023 diff hist +14 Category:Forces →Introduction
- 10:2010:20, 18 October 2023 diff hist −2 Category:Forces →Introduction
- 10:2010:20, 18 October 2023 diff hist −41 Category:Forces →Introduction
- 10:1910:19, 18 October 2023 diff hist +282 Category:Forces →Introduction
- 10:1310:13, 18 October 2023 diff hist +398 Category:Forces →Introduction
- 10:0510:05, 18 October 2023 diff hist +39 Category:Forces →Introduction
- 10:0510:05, 18 October 2023 diff hist −41 Category:Forces →Introduction
- 10:0510:05, 18 October 2023 diff hist +144 Category:Forces →Introduction
- 10:0310:03, 18 October 2023 diff hist +36 Category:Forces →Introduction
- 10:0110:01, 18 October 2023 diff hist +24 Category:Forces →Introduction
- 10:0110:01, 18 October 2023 diff hist +120 Category:Forces →Introduction
- 09:5809:58, 18 October 2023 diff hist +208 Category:Forces No edit summary
- 09:4409:44, 18 October 2023 diff hist −22 Category:Forces →Introduction
- 09:4109:41, 18 October 2023 diff hist −4 Category:Forces →Introduction
- 09:4009:40, 18 October 2023 diff hist +170 Category:Forces →Introduction
- 09:3809:38, 18 October 2023 diff hist 0 Category:Forces →Introduction
- 09:3809:38, 18 October 2023 diff hist +1 Category:Forces →Introduction
- 09:3409:34, 18 October 2023 diff hist +5 Category:Forces →Introduction
- 09:3409:34, 18 October 2023 diff hist −25 Category:Forces →Introduction
- 09:3209:32, 18 October 2023 diff hist +112 Category:Forces No edit summary
- 09:2909:29, 18 October 2023 diff hist +18 Category:Forces →Introduction
- 09:2809:28, 18 October 2023 diff hist +423 Category:Forces →Introduction
- 09:2109:21, 18 October 2023 diff hist −1 Category:Forces →Introduction
- 08:2508:25, 18 October 2023 diff hist −356 Category:Forces No edit summary
17 October 2023
- 15:2815:28, 17 October 2023 diff hist +248 Category:Forces No edit summary
- 15:2715:27, 17 October 2023 diff hist +247 N Category:Forces Created page with "Tags and articles that deal with forces in VASP, e.g., the Hellmann-Feynman forces and machine-learned force fields. ---- The_..."
21 August 2023
- 13:1413:14, 21 August 2023 diff hist +67 ISIF No edit summary
10 August 2023
- 09:4109:41, 10 August 2023 diff hist +43 ISIF No edit summary
- 09:3309:33, 10 August 2023 diff hist −44 ISIF No edit summary
- 09:3209:32, 10 August 2023 diff hist +44 ISIF No edit summary
13 July 2023
- 09:3409:34, 13 July 2023 diff hist +15 Nose-Hoover thermostat No edit summary current Tag: Visual edit
6 July 2023
- 18:1818:18, 6 July 2023 diff hist 0 EFIELD PEAD No edit summary current
- 18:1718:17, 6 July 2023 diff hist +8 EFIELD PEAD No edit summary
- 18:1718:17, 6 July 2023 diff hist +6 EFIELD PEAD No edit summary
- 18:1518:15, 6 July 2023 diff hist +148 EFIELD PEAD No edit summary
20 June 2023
- 13:3113:31, 20 June 2023 diff hist +1 Machine learning force field: Theory →Solution via regularized SVD
- 13:3013:30, 20 June 2023 diff hist +5 Machine learning force field: Theory →Solution via regularized SVD
- 13:3013:30, 20 June 2023 diff hist +8 Machine learning force field: Theory →Solution via regularized SVD
- 13:2913:29, 20 June 2023 diff hist +5 Machine learning force field: Theory →Solution via regularized SVD
- 10:1910:19, 20 June 2023 diff hist 0 Machine learning force field: Theory →Solution via regularized SVD
- 10:1810:18, 20 June 2023 diff hist −6 Machine learning force field: Theory →Solution via regularized SVD
- 10:1410:14, 20 June 2023 diff hist +801 Machine learning force field: Theory →Regression
5 May 2023
- 07:2107:21, 5 May 2023 diff hist +4 Best practices for machine-learned force fields →Best practice training modes
- 07:2107:21, 5 May 2023 diff hist +510 Best practices for machine-learned force fields →Best practice training modes
3 May 2023
- 10:1810:18, 3 May 2023 diff hist +1 Category:Ensembles No edit summary
- 06:4406:44, 3 May 2023 diff hist +12 Best practices for machine-learned force fields No edit summary
2 May 2023
- 06:1906:19, 2 May 2023 diff hist −14 Best practices for machine-learned force fields →Tuning on-the-fly parameters
- 06:1806:18, 2 May 2023 diff hist +37 Best practices for machine-learned force fields →Accuracy
- 06:1706:17, 2 May 2023 diff hist 0 Best practices for machine-learned force fields →Best practice training modes
- 06:1106:11, 2 May 2023 diff hist −2 Best practices for machine-learned force fields →Best practice training modes
- 06:1106:11, 2 May 2023 diff hist +10 Best practices for machine-learned force fields →Best practice training modes
- 06:1006:10, 2 May 2023 diff hist −2 Best practices for machine-learned force fields →Best practice training modes
- 06:0806:08, 2 May 2023 diff hist −1 Best practices for machine-learned force fields →Best practice training modes
- 06:0806:08, 2 May 2023 diff hist −16 Best practices for machine-learned force fields →Best practice training modes
- 06:0706:07, 2 May 2023 diff hist 0 Best practices for machine-learned force fields →Accurate force fields
29 March 2023
- 07:2207:22, 29 March 2023 diff hist +3,230 Best practices for machine-learned force fields No edit summary
- 07:0907:09, 29 March 2023 diff hist +49 Best practices for machine-learned force fields No edit summary
- 07:0307:03, 29 March 2023 diff hist +140 Best practices for machine-learned force fields No edit summary
- 07:0007:00, 29 March 2023 diff hist +8 Best practices for machine-learned force fields No edit summary
- 06:5806:58, 29 March 2023 diff hist +8 Best practices for machine-learned force fields No edit summary
- 06:5006:50, 29 March 2023 diff hist +1,119 Best practices for machine-learned force fields No edit summary
- 06:4206:42, 29 March 2023 diff hist +20 Best practices for machine-learned force fields No edit summary
- 06:3906:39, 29 March 2023 diff hist +2 Best practices for machine-learned force fields No edit summary
- 06:3806:38, 29 March 2023 diff hist 0 Best practices for machine-learned force fields No edit summary
- 06:3806:38, 29 March 2023 diff hist 0 Best practices for machine-learned force fields No edit summary
- 06:3706:37, 29 March 2023 diff hist 0 Best practices for machine-learned force fields No edit summary
- 06:3606:36, 29 March 2023 diff hist +671 Best practices for machine-learned force fields No edit summary
- 06:2806:28, 29 March 2023 diff hist +358 Best practices for machine-learned force fields No edit summary
- 06:1606:16, 29 March 2023 diff hist −2,110 Best practices for machine-learned force fields No edit summary
- 06:1106:11, 29 March 2023 diff hist −3,497 Best practices for machine-learned force fields No edit summary
22 February 2023
- 16:1516:15, 22 February 2023 diff hist −18 ML MODE No edit summary
- 16:1516:15, 22 February 2023 diff hist +1 ML LFAST No edit summary
- 16:1416:14, 22 February 2023 diff hist +1 ML LFAST No edit summary
- 16:1416:14, 22 February 2023 diff hist −21 ML LFAST No edit summary
2 November 2022
- 16:3116:31, 2 November 2022 diff hist −18 KPOINTS OPT No edit summary
- 16:3116:31, 2 November 2022 diff hist +41 KPOINTS OPT No edit summary Tag: Visual edit: Switched
24 October 2022
- 15:2615:26, 24 October 2022 diff hist +1 ML REG No edit summary Tag: Visual edit: Switched
12 August 2022
- 20:3620:36, 12 August 2022 diff hist −353 Category:Ensembles No edit summary
- 20:3520:35, 12 August 2022 diff hist −143 Category:Ensembles No edit summary
- 19:2919:29, 12 August 2022 diff hist +3 Category:Ensembles No edit summary
- 19:1819:18, 12 August 2022 diff hist +1,565 Category:Ensembles No edit summary
- 18:5318:53, 12 August 2022 diff hist +9 Category:Ensembles No edit summary
- 18:5318:53, 12 August 2022 diff hist +12 Category:Ensembles No edit summary
- 18:5018:50, 12 August 2022 diff hist +16 Category:Ensembles No edit summary
- 18:4718:47, 12 August 2022 diff hist +86 Category:Ensembles No edit summary
- 18:4518:45, 12 August 2022 diff hist +6 Category:Ensembles No edit summary
- 17:5617:56, 12 August 2022 diff hist +206 Category:Ensembles No edit summary
- 17:5017:50, 12 August 2022 diff hist +1,527 Category:Ensembles No edit summary
- 17:3417:34, 12 August 2022 diff hist +11 Category:Ensembles No edit summary
- 17:3217:32, 12 August 2022 diff hist +370 Category:Ensembles No edit summary
- 17:2417:24, 12 August 2022 diff hist +459 Category:Ensembles No edit summary
- 17:1417:14, 12 August 2022 diff hist +174 Category:Ensembles No edit summary
- 17:1117:11, 12 August 2022 diff hist +850 Category:Ensembles No edit summary
- 16:1816:18, 12 August 2022 diff hist +145 Category:Ensembles No edit summary
- 16:1316:13, 12 August 2022 diff hist +446 Category:Ensembles No edit summary
- 14:1114:11, 12 August 2022 diff hist +464 Category:Ensembles No edit summary
- 13:5513:55, 12 August 2022 diff hist 0 Category:Ensembles No edit summary
- 13:5413:54, 12 August 2022 diff hist +2,524 N Category:Ensembles Created page with "=== Introduction === A central concept of statistical mechanics is the ensemble. An ensemble consists of a large number of virtual copies of the system of int..."
- 10:5510:55, 12 August 2022 diff hist +88 NpT ensemble No edit summary
11 August 2022
- 15:3815:38, 11 August 2022 diff hist 0 NpH ensemble No edit summary
- 15:2915:29, 11 August 2022 diff hist +1 NVT ensemble No edit summary
- 15:2815:28, 11 August 2022 diff hist +243 NVT ensemble No edit summary
- 15:2715:27, 11 August 2022 diff hist +50 NpH ensemble No edit summary
- 15:2615:26, 11 August 2022 diff hist +61 NpH ensemble No edit summary
- 15:1615:16, 11 August 2022 diff hist +62 NpT ensemble No edit summary
- 15:1315:13, 11 August 2022 diff hist +29 NVT ensemble No edit summary
- 15:1215:12, 11 August 2022 diff hist +30 NVE ensemble No edit summary
- 13:3113:31, 11 August 2022 diff hist +35 NpH ensemble No edit summary
- 13:3013:30, 11 August 2022 diff hist −15 NpH ensemble No edit summary
- 13:2913:29, 11 August 2022 diff hist +289 NpH ensemble No edit summary
- 13:2313:23, 11 August 2022 diff hist +2 NpH ensemble No edit summary
- 13:1913:19, 11 August 2022 diff hist −295 NpH ensemble No edit summary
- 13:0713:07, 11 August 2022 diff hist +58 NpT ensemble No edit summary
- 12:3112:31, 11 August 2022 diff hist +3,191 N NpH ensemble Created page with "The NpH ensemble (isoenthalpic–isobaric ensemble) is a statistical ensemble that is used to study material properties under the conditions of a c..."
- 12:2512:25, 11 August 2022 diff hist −4 NpT ensemble No edit summary
- 12:2412:24, 11 August 2022 diff hist −4 NpT ensemble No edit summary
- 08:2708:27, 11 August 2022 diff hist +1 NpT ensemble No edit summary
- 08:2708:27, 11 August 2022 diff hist −1 NpT ensemble No edit summary
- 08:2608:26, 11 August 2022 diff hist +13 NpT ensemble No edit summary
- 08:1408:14, 11 August 2022 diff hist +54 NpT ensemble No edit summary
10 August 2022
- 16:0416:04, 10 August 2022 diff hist +8 Computing the phonon dispersion and DOS No edit summary
- 16:0416:04, 10 August 2022 diff hist +3 Computing the phonon dispersion and DOS No edit summary
- 16:0216:02, 10 August 2022 diff hist +1 Computing the phonon dispersion and DOS No edit summary
- 15:3615:36, 10 August 2022 diff hist −35 Computing the phonon dispersion and DOS No edit summary
- 15:2915:29, 10 August 2022 diff hist −8 Computing the phonon dispersion and DOS No edit summary
- 15:1815:18, 10 August 2022 diff hist +112 Phonons from density-functional-perturbation theory No edit summary