User contributions for Singraber

4 May 2023

• 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

13 September 2022

• 07:4507:45, 13 September 2022 diff hist −2‎ m Best practices for machine-learned force fields ‎ →‎Example
• 07:4407:44, 13 September 2022 diff hist −2‎ m Best practices for machine-learned force fields ‎ →‎Example

29 August 2022

• 11:4711:47, 29 August 2022 diff hist +216‎ Construction:TODO ‎No edit summary

12 August 2022

• 15:4615:46, 12 August 2022 diff hist 0‎ Best practices for machine-learned force fields ‎ →‎Basics
• 15:3515:35, 12 August 2022 diff hist +1,035‎ Best practices for machine-learned force fields ‎No edit summary
• 14:3314:33, 12 August 2022 diff hist 0‎ Best practices for machine-learned force fields ‎ →‎Training
• 14:2914:29, 12 August 2022 diff hist +253‎ Best practices for machine-learned force fields ‎ →‎Basics
• 13:5813:58, 12 August 2022 diff hist −356‎ Construction:TODO ‎No edit summary
• 13:5413:54, 12 August 2022 diff hist +4‎ Best practices for machine-learned force fields ‎No edit summary
• 13:5113:51, 12 August 2022 diff hist +778‎ Best practices for machine-learned force fields ‎ →‎Basics

11 August 2022

• 15:5915:59, 11 August 2022 diff hist +1,293‎ Best practices for machine-learned force fields ‎ →‎Basics
• 09:4409:44, 11 August 2022 diff hist +1‎ POSCAR ‎ →‎Full format specification
• 09:4309:43, 11 August 2022 diff hist +33‎ POSCAR ‎ →‎Related tags and articles
• 09:4309:43, 11 August 2022 diff hist −3‎ POSCAR ‎No edit summary
• 09:4109:41, 11 August 2022 diff hist +490‎ POSCAR ‎ →‎Full format specification
• 09:2209:22, 11 August 2022 diff hist +757‎ POSCAR ‎ →‎Full format specification
• 08:0708:07, 11 August 2022 diff hist +75‎ SYMPREC ‎No edit summary

10 August 2022

• 21:5221:52, 10 August 2022 diff hist +1,569‎ POSCAR ‎No edit summary
• 21:4921:49, 10 August 2022 diff hist +1,275‎ POSCAR ‎ →‎Full format specification
• 15:1515:15, 10 August 2022 diff hist +325‎ POSCAR ‎No edit summary

2 August 2022

• 13:5113:51, 2 August 2022 diff hist +521‎ Personal computer installation ‎No edit summary
• 12:2112:21, 2 August 2022 diff hist −10‎ Personal computer installation ‎No edit summary