Best practices for machine-learned force fields: Revision history

31 October 2024

• curprev 12:3412:34, 31 October 2024‎ Jona talk contribs‎ 60,868 bytes +264‎ →‎Best practice training modes

14 August 2024

• curprev 10:1310:13, 14 August 2024‎ Karsai talk contribs‎ 60,604 bytes +205‎ No edit summary

13 June 2024

• curprev 08:2208:22, 13 June 2024‎ Jona talk contribs‎ 60,399 bytes +1‎ No edit summary

10 June 2024

• curprev 10:0410:04, 10 June 2024‎ Schlipf talk contribs‎ 60,398 bytes −34‎ →‎Error analysis using py4vasp

11 April 2024

• curprev 07:1507:15, 11 April 2024‎ Karsai talk contribs‎ 60,432 bytes +17‎ →‎Reduced descriptors
• curprev 07:1407:14, 11 April 2024‎ Karsai talk contribs‎ 60,415 bytes −12‎ →‎Controlling the descriptor reduction

20 March 2024

• curprev 13:5013:50, 20 March 2024‎ Karsai talk contribs‎ 60,427 bytes +4,522‎ No edit summary

16 January 2024

• curprev 09:2809:28, 16 January 2024‎ Jona talk contribs‎ 55,905 bytes +55‎ →‎Reduction of memory consumption in on-the-fly calculations
• curprev 09:2409:24, 16 January 2024‎ Jona talk contribs‎ 55,850 bytes −5‎ →‎Reduction of memory consumption in on-the-fly calculations
• curprev 09:2309:23, 16 January 2024‎ Jona talk contribs‎ 55,855 bytes −6‎ →‎Reduction of memory consumption in on-the-fly calculations
• curprev 09:2209:22, 16 January 2024‎ Jona talk contribs‎ 55,861 bytes −1‎ →‎Memory consumption
• curprev 09:2209:22, 16 January 2024‎ Jona talk contribs‎ 55,862 bytes −7‎ →‎Memory consumption
• curprev 09:1409:14, 16 January 2024‎ Jona talk contribs‎ 55,869 bytes −8‎ →‎Memory consumption
• curprev 09:1209:12, 16 January 2024‎ Jona talk contribs‎ 55,877 bytes +8‎ →‎Memory consumption
• curprev 09:0809:08, 16 January 2024‎ Jona talk contribs‎ 55,869 bytes −1‎ →‎Memory consumption
• curprev 09:0809:08, 16 January 2024‎ Jona talk contribs‎ 55,870 bytes +4‎ →‎Memory consumption
• curprev 09:0009:00, 16 January 2024‎ Jona talk contribs‎ 55,866 bytes 0‎ →‎Memory consumption
• curprev 08:5808:58, 16 January 2024‎ Jona talk contribs‎ 55,866 bytes +11‎ →‎Computational efficiency in production runs
• curprev 08:5708:57, 16 January 2024‎ Jona talk contribs‎ 55,855 bytes −48‎ →‎Computational efficiency in production runs
• curprev 08:5508:55, 16 January 2024‎ Jona talk contribs‎ 55,903 bytes −7‎ →‎Computational efficiency in production runs
• curprev 08:5308:53, 16 January 2024‎ Jona talk contribs‎ 55,910 bytes −1‎ →‎Computational efficiency in production runs
• curprev 08:5308:53, 16 January 2024‎ Jona talk contribs‎ 55,911 bytes −13‎ →‎Computational efficiency in production runs
• curprev 08:5008:50, 16 January 2024‎ Jona talk contribs‎ 55,924 bytes −5‎ →‎Monitoring MLFF run with blocked averages
• curprev 08:4908:49, 16 January 2024‎ Jona talk contribs‎ 55,929 bytes +139‎ →‎Monitoring MLFF run with blocked averages

10 January 2024

• curprev 11:1611:16, 10 January 2024‎ Karsai talk contribs‎ 55,790 bytes +10,136‎ No edit summary

11 November 2023

• curprev 07:3707:37, 11 November 2023‎ Huebsch talk contribs‎ 45,654 bytes +5‎ →‎Generating a representative test set Tag: Visual edit
• curprev 07:3407:34, 11 November 2023‎ Huebsch talk contribs‎ 45,649 bytes +1,852‎ →‎Testing

15 September 2023

• curprev 08:5708:57, 15 September 2023‎ Karsai talk contribs‎ 43,797 bytes +59‎ →‎Monitoring
• curprev 08:3608:36, 15 September 2023‎ Karsai talk contribs‎ 43,738 bytes −81‎ →‎Monitoring

11 May 2023

• curprev 09:5809:58, 11 May 2023‎ Karsai talk contribs‎ 43,819 bytes −1‎ No edit summary
• curprev 09:5809:58, 11 May 2023‎ Karsai talk contribs‎ 43,820 bytes +18‎ →‎Best practice training modes

5 May 2023

• curprev 08:1608:16, 5 May 2023‎ Singraber talk contribs‎ 43,802 bytes −12‎ →‎Best practice training modes
• curprev 07:2107:21, 5 May 2023‎ Jona talk contribs‎ 43,814 bytes +4‎ →‎Best practice training modes
• curprev 07:2107:21, 5 May 2023‎ Jona talk contribs‎ 43,810 bytes +510‎ →‎Best practice training modes

3 May 2023

• curprev 06:4406:44, 3 May 2023‎ Jona talk contribs‎ 43,300 bytes +12‎ No edit summary

2 May 2023

• curprev 06:1906:19, 2 May 2023‎ Jona talk contribs‎ 43,288 bytes −14‎ →‎Tuning on-the-fly parameters
• curprev 06:1806:18, 2 May 2023‎ Jona talk contribs‎ 43,302 bytes +37‎ →‎Accuracy
• curprev 06:1706:17, 2 May 2023‎ Jona talk contribs‎ 43,265 bytes 0‎ →‎Best practice training modes
• curprev 06:1106:11, 2 May 2023‎ Jona talk contribs‎ 43,265 bytes −2‎ →‎Best practice training modes
• curprev 06:1106:11, 2 May 2023‎ Jona talk contribs‎ 43,267 bytes +10‎ →‎Best practice training modes
• curprev 06:1006:10, 2 May 2023‎ Jona talk contribs‎ 43,257 bytes −2‎ →‎Best practice training modes
• curprev 06:0806:08, 2 May 2023‎ Jona talk contribs‎ 43,259 bytes −1‎ →‎Best practice training modes
• curprev 06:0806:08, 2 May 2023‎ Jona talk contribs‎ 43,260 bytes −16‎ →‎Best practice training modes
• curprev 06:0706:07, 2 May 2023‎ Jona talk contribs‎ 43,276 bytes 0‎ →‎Accurate force fields

28 April 2023

• curprev 09:4709:47, 28 April 2023‎ Vaspmaster talk contribs‎ 43,276 bytes +11‎ →‎Best practice training modes
• curprev 09:3909:39, 28 April 2023‎ Vaspmaster talk contribs‎ 43,265 bytes −14‎ →‎Best practice training modes

27 April 2023

• curprev 12:4212:42, 27 April 2023‎ Karsai talk contribs‎ 43,279 bytes 0‎ →‎Best practice training modes
• curprev 07:0607:06, 27 April 2023‎ Vaspmaster talk contribs‎ 43,279 bytes −5‎ No edit summary

14 April 2023

• curprev 09:1309:13, 14 April 2023‎ Karsai talk contribs‎ 43,284 bytes −2,914‎ No edit summary

31 March 2023

• curprev 15:4115:41, 31 March 2023‎ Kresse talk contribs‎ 46,198 bytes +1,212‎ Improvements in many places, mostly grammer, but also added hints Tag: Visual edit