Constraint (computational chemistry): Revision history

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curprev 08:2508:25, 6 December 2024 195.37.70.39 talk 31,445 bytes −292 Get rid of the doubling of the reference for SETTLE undo

curprev 16:1816:18, 8 April 2024 198.176.190.241 talk 31,737 bytes −1 →Mathematical background undo Tag: Manual revert
curprev 16:1716:17, 8 April 2024 198.176.190.241 talk 31,738 bytes +1 →Mathematical background undo Tag: Reverted

curprev 14:4014:40, 3 October 2023 Citation bot talk contribs 31,737 bytes +19 Add: s2cid. | Use this bot. Report bugs. | Suggested by Abductive | Category:Molecular dynamics | #UCB_Category 30/37 undo

curprev 05:1105:11, 25 October 2022 Dough34 talk contribs m 31,718 bytes −26 →LINCS algorithm: fix capitalization, remove duplicate link undo Tag: Visual edit
curprev 05:0705:07, 25 October 2022 Dough34 talk contribs m 31,744 bytes −35 →The SHAKE algorithm: remove space, remove duplicate links undo Tag: Visual edit

curprev 04:2104:21, 23 October 2022 Citation bot talk contribs 31,779 bytes +210 Add: pmid, issue, s2cid, authors 1-1. Removed parameters. Some additions/deletions were parameter name changes. | Use this bot. Report bugs. | Suggested by Whoop whoop pull up | #UCB_webform 835/3485 undo

curprev 06:2106:21, 7 July 2022 114.70.8.206 talk 31,569 bytes +2 →Mathematical background undo

curprev 08:4108:41, 12 May 2022 Explicit talk contribs m 31,567 bytes +10 →Lagrange multiplier-based methods: Swapped for Commons file. undo

curprev 16:0116:01, 8 March 2022 Andrewwhite01 talk contribs m 31,557 bytes +2 →Lagrange multiplier-based methods: Added subscript to lambda undo
curprev 16:0016:00, 8 March 2022 Andrewwhite01 talk contribs 31,555 bytes +410 →Lagrange multiplier-based methods: Switched sign on equation defining lagrange force to be consistent with rest of equations undo
curprev 15:5215:52, 8 March 2022 Andrewwhite01 talk contribs 31,145 bytes 0 →Lagrange multiplier-based methods undo

curprev 07:4207:42, 2 December 2020 Footlessmouse talk contribs m 31,145 bytes +46 wikilink undo Tag: 2017 wikitext editor
curprev 07:4007:40, 2 December 2020 Footlessmouse talk contribs 31,099 bytes +111 Importing Wikidata short description: "Method for satisfying the Newtonian motion of a rigid body which consists of mass points" (Shortdesc helper) undo

curprev 09:4109:41, 29 August 2020 Neutronstar2 talk contribs m 30,988 bytes 0 typo undo

curprev 04:2004:20, 8 June 2020 Levnon14 talk contribs 30,988 bytes +32 Fixed missing dimensions (timestep squared over mass) for the equation updating the constrained positions from the obtained largange multipliers. undo Tag: Visual edit

curprev 07:1907:19, 29 April 2020 KentonHammonds talk contribs 30,956 bytes +1,243 Added some numeric data on the SHAKE algorithm to give the reader a better context for understanding the issues involved, and why other algorithms were developed. undo

curprev 16:4316:43, 28 April 2020 KentonHammonds talk contribs m 29,713 bytes +40 Some minor changes to improve clarity. undo
curprev 11:3511:35, 28 April 2020 KentonHammonds talk contribs 29,673 bytes +404 This section was factually incorrect. undo Tag: Visual edit: Switched

curprev 15:0615:06, 18 April 2020 KentonHammonds talk contribs 29,269 bytes +80 Further clarification of what SHAKE can do. undo Tag: Visual edit
curprev 15:0115:01, 18 April 2020 KentonHammonds talk contribs 29,189 bytes +98 Made it clear that SHAKE can handle more than just bond constraints. undo Tag: Visual edit

curprev 18:0218:02, 15 April 2020 OAbot talk contribs m 29,091 bytes +20 Open access bot: hdl added to citation with #oabot. undo

curprev 16:1816:18, 1 March 2020 93.39.152.20 talk 29,071 bytes +1 Corretta grammatica undo Tags: Mobile edit Mobile app edit iOS app edit

curprev 06:4906:49, 16 February 2020 Mild Bill Hiccup talk contribs 29,070 bytes −8 →Lagrange multiplier-based methods: Fixing style/layout errors undo

curprev 15:3215:32, 12 December 2019 Citation bot talk contribs m 29,078 bytes +25 Add: hdl. | You can use this bot yourself. Report bugs here.| Activated by User:Nemo bis | via #UCB_webform undo

curprev 13:5913:59, 15 February 2019 Citation bot talk contribs m 29,053 bytes +248 Alter: isbn. Add: pmid, citeseerx, doi, issue. | You can use this bot yourself. Report bugs here. | User-activated. undo

curprev 06:5506:55, 18 January 2019 JCW-CleanerBot talk contribs m 28,805 bytes −11 task, replaced: International Journal for Robotics Research → International Journal of Robotics Research undo Tag: AWB

curprev 04:4304:43, 7 December 2018 32.212.54.48 talk 28,816 bytes +6 en-dashes undo

curprev 22:0722:07, 22 May 2018 OAbot talk contribs m 28,810 bytes +26 Open access bot: add arxiv identifier to citation with #oabot. undo

curprev 22:2722:27, 15 May 2018 OAbot talk contribs m 28,784 bytes +12 Open access bot: add pmc identifier to citation with #oabot. undo

curprev 03:1903:19, 18 February 2018 Michael Hardy talk contribs 28,772 bytes 0 No edit summary undo
curprev 03:1803:18, 18 February 2018 Michael Hardy talk contribs 28,772 bytes −36 No edit summary undo

curprev 17:3217:32, 14 February 2018 RMCD bot talk contribs 28,808 bytes −155 Removing notice of move discussion undo
curprev 17:1617:16, 14 February 2018 TonyBallioni talk contribs m 28,963 bytes 0 TonyBallioni moved page Constraint algorithm to Constraint (computational chemistry): requested move; consensus at Talk:Constraint (computational chemistry) undo

curprev 17:1617:16, 7 February 2018 RMCD bot talk contribs 28,963 bytes +155 Notifying of move discussion on Talk:Constraint algorithm undo

curprev 20:5620:56, 15 September 2017 Bibcode Bot talk contribs m 28,808 bytes +32 Adding 0 arxiv eprint(s), 1 bibcode(s) and 0 doi(s). Did it miss something? Report bugs, errors, and suggestions at User talk:Bibcode Bot undo

curprev 20:2020:20, 13 August 2017 Ciphers talk contribs 28,776 bytes +127 →The SHAKE algorithm: proofread section, and some links undo Tags: Mobile edit Mobile app edit

curprev 17:2617:26, 5 March 2017 LikeFunYouAre talk contribs m 28,649 bytes +25 Better explanation of the vibrations undo
curprev 17:2517:25, 5 March 2017 LikeFunYouAre talk contribs 28,624 bytes +110 Using constraints on covalent bonds to hydrogen is standard in protein force fields (CHARMM, Amber), yet these force fields still represent H-bonds. undo

curprev 03:2203:22, 30 August 2016 Gkedz talk contribs 28,514 bytes +1 →Mathematical background undo Tags: Mobile edit Mobile web edit
curprev 03:1303:13, 30 August 2016 Gkedz talk contribs 28,513 bytes +1 →Mathematical background: Changed back. Didn't fix the problem. undo Tags: Mobile edit Mobile web edit
curprev 03:1203:12, 30 August 2016 Gkedz talk contribs 28,512 bytes −1 →Mathematical background: Changed the math by removing a colon from the beginning of the first equation. It was not rendering. undo Tags: Mobile edit Mobile web edit

curprev 09:4109:41, 7 April 2016 Daleang talk contribs m 28,513 bytes −32 Reworded to read more clearly undo

curprev 12:2212:22, 26 August 2015 Trappist the monk talk contribs m 28,545 bytes +11 →Internal coordinate methods: clean up, replace/remove deprecated cs1|2 parameters; using AWB undo

curprev 22:0922:09, 27 August 2014 Mild Bill Hiccup talk contribs 28,534 bytes −29 →top: it's → its undo

curprev 15:1515:15, 2 July 2014 Markhurd talk contribs m 28,563 bytes +11 Disambiguate Jacobian to Jacobian matrix and determinant using popups undo

curprev 21:1921:19, 18 June 2014 R'n'B talk contribs m 28,552 bytes +21 Disambiguating links to Jacobian (help needed) using DisamAssist. undo

curprev 03:2303:23, 15 June 2014 106.188.102.73 talk 28,531 bytes +85 No edit summary undo
curprev 02:3702:37, 15 June 2014 106.188.102.73 talk 28,446 bytes −9 No edit summary undo
curprev 02:3002:30, 15 June 2014 106.188.102.73 talk 28,455 bytes +28 No edit summary undo

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