User contributions for Singraber

24 August 2023

• 09:5809:58, 24 August 2023 diff hist −152‎ Personal computer installation ‎No edit summary
• 08:4608:46, 24 August 2023 diff hist +258‎ Personal computer installation ‎No edit summary

23 August 2023

• 09:5009:50, 23 August 2023 diff hist +15‎ Personal computer installation ‎No edit summary

22 August 2023

• 07:5407:54, 22 August 2023 diff hist +19‎ Personal computer installation ‎No edit summary
• 07:3707:37, 22 August 2023 diff hist +9‎ Personal computer installation ‎ →‎Building VASP 6.3.X on Ubuntu 22.04

17 May 2023

• 14:1314:13, 17 May 2023 diff hist 0‎ Known issues ‎No edit summary
• 13:1813:18, 17 May 2023 diff hist +169‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions
• 13:1413:14, 17 May 2023 diff hist +1,259‎ Known issues ‎No edit summary

15 May 2023

• 11:4211:42, 15 May 2023 diff hist −2‎ ML EPS LOW ‎No edit summary current

5 May 2023

• 14:3614:36, 5 May 2023 diff hist −252‎ Machine learning force field calculations: Basics ‎No edit summary
• 13:5913:59, 5 May 2023 diff hist −19‎ Machine learning force field calculations: Basics ‎ →‎Important general remarks
• 13:5813:58, 5 May 2023 diff hist +5‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions
• 13:5713:57, 5 May 2023 diff hist −22‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions
• 13:5413:54, 5 May 2023 diff hist 0‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions
• 13:4813:48, 5 May 2023 diff hist −11,829‎ Machine learning force field calculations: Basics ‎ →‎Parallelization
• 13:4113:41, 5 May 2023 diff hist −66‎ ML FF ‎No edit summary
• 13:3813:38, 5 May 2023 diff hist +1,159‎ ML FFN ‎No edit summary current
• 08:2508:25, 5 May 2023 diff hist −17‎ Machine learning force field calculations: Basics ‎ →‎Parallelization and memory usage
• 08:1608:16, 5 May 2023 diff hist −12‎ Best practices for machine-learned force fields ‎ →‎Best practice training modes
• 08:0908:09, 5 May 2023 diff hist −265‎ Machine learning force field calculations: Basics ‎ →‎Important general remarks
• 08:0308:03, 5 May 2023 diff hist +189‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions

4 May 2023

• 13:3113:31, 4 May 2023 diff hist +22‎ Machine learning force field calculations: Basics ‎No edit summary
• 13:2913:29, 4 May 2023 diff hist +3,045‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions
• 10:1810:18, 4 May 2023 diff hist +743‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions
• 09:5409:54, 4 May 2023 diff hist +1,315‎ Machine learning force field calculations: Basics ‎ →‎Step-by-step instructions
• 09:0409:04, 4 May 2023 diff hist +1,851‎ Machine learning force field calculations: Basics ‎No edit summary

28 April 2023

• 09:0909:09, 28 April 2023 diff hist +973‎ Machine learning force field calculations: Basics ‎No edit summary
• 08:3508:35, 28 April 2023 diff hist −600‎ Machine learning force field calculations: Basics ‎ →‎Parallelization

26 April 2023

• 12:4012:40, 26 April 2023 diff hist +443‎ Machine learning force field calculations: Basics ‎No edit summary

21 April 2023

• 10:0810:08, 21 April 2023 diff hist +3,132‎ Machine learning force field calculations: Basics ‎No edit summary

29 March 2023

• 10:0710:07, 29 March 2023 diff hist +93‎ Machine learning force field calculations: Basics ‎No edit summary
• 10:0410:04, 29 March 2023 diff hist +1,020‎ Machine learning force field calculations: Basics ‎No edit summary
• 08:4408:44, 29 March 2023 diff hist +11,133‎ N Machine learning force field calculations: Basics ‎ Copy from Basics page

28 March 2023

• 09:0909:09, 28 March 2023 diff hist +76‎ ML MODE ‎No edit summary

24 February 2023

• 10:0510:05, 24 February 2023 diff hist +1,199‎ Known issues ‎No edit summary

22 February 2023

• 13:3313:33, 22 February 2023 diff hist 0‎ Shared memory ‎No edit summary
• 11:1911:19, 22 February 2023 diff hist +12‎ Shared memory ‎No edit summary
• 11:1411:14, 22 February 2023 diff hist +717‎ Shared memory ‎No edit summary

16 January 2023

• 08:3408:34, 16 January 2023 diff hist −1‎ m ML LOGFILE ‎ →‎File layout

7 January 2023

• 00:1100:11, 7 January 2023 diff hist +1‎ Best practices for machine-learned force fields ‎ →‎Tuning on-the-fly parameters

7 December 2022

• 14:1014:10, 7 December 2022 diff hist +333‎ ML LERR ‎No edit summary

21 November 2022

• 14:0014:00, 21 November 2022 diff hist +68‎ ML IERR ‎No edit summary

13 October 2022

• 14:3514:35, 13 October 2022 diff hist +21‎ ML ISTART ‎No edit summary
• 14:2814:28, 13 October 2022 diff hist −2‎ ML AB ‎No edit summary
• 14:2714:27, 13 October 2022 diff hist +260‎ ML ABN ‎No edit summary
• 14:1614:16, 13 October 2022 diff hist +436‎ ML AB ‎No edit summary
• 13:5913:59, 13 October 2022 diff hist −22‎ ML AB ‎No edit summary
• 13:4313:43, 13 October 2022 diff hist +168‎ ML AB ‎No edit summary
• 13:2013:20, 13 October 2022 diff hist −10,751‎ ML AB ‎No edit summary
• 10:0310:03, 13 October 2022 diff hist +1,411‎ ML AB ‎No edit summary