User contributions for Tbucko
7 August 2024
- 17:1317:13, 7 August 2024 diff hist 0 ML SIGW0 small typo corrected Tag: Visual edit
19 January 2024
- 10:5110:51, 19 January 2024 diff hist +566 N LTSSURF Created page with "{{TAGDEF|LTSSURF|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: if {{TAGDEF|LTSSURF}} set to .TRUE., the standard parametrization of the Tkatchenko-Scheffler method is replaced by the one designed to enable reliable modeling of structure and stability for a broad class of organic molecules adsorbed on metal surfaces is activated<ref>[https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.035118 V. G. Ruiz, W. Liu, and A. Tkatchenko, Phys. Rev. B 93, 035118 (2016).]</ref..."
- 10:4810:48, 19 January 2024 diff hist +8 Tkatchenko-Scheffler method No edit summary current
- 10:4710:47, 19 January 2024 diff hist +106 Tkatchenko-Scheffler method No edit summary
- 10:4610:46, 19 January 2024 diff hist 0 IVDW No edit summary
- 10:4510:45, 19 January 2024 diff hist +1 IVDW No edit summary
1 December 2023
- 22:5822:58, 1 December 2023 diff hist −2 TI LAMBDA No edit summary Tag: Visual edit: Switched
30 November 2023
- 16:1316:13, 30 November 2023 diff hist +9 Intrinsic-reaction-coordinate calculations →Practical example current
- 16:1216:12, 30 November 2023 diff hist +16 Intrinsic-reaction-coordinate calculations →Practical example
- 16:1116:11, 30 November 2023 diff hist +80 Intrinsic-reaction-coordinate calculations →Practical example
- 16:0816:08, 30 November 2023 diff hist +100 Intrinsic-reaction-coordinate calculations No edit summary Tag: Visual edit
- 16:0716:07, 30 November 2023 diff hist +187 Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 16:0416:04, 30 November 2023 diff hist +24 Intrinsic-reaction-coordinate calculations →Practical example
- 16:0316:03, 30 November 2023 diff hist +61 N File:IrcExample1.png an IRC profile generated in a practical example current
- 16:0216:02, 30 November 2023 diff hist +2 Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 15:5515:55, 30 November 2023 diff hist +263 Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 15:5215:52, 30 November 2023 diff hist +1 Intrinsic-reaction-coordinate calculations →Practical example
- 15:5215:52, 30 November 2023 diff hist +1 Intrinsic-reaction-coordinate calculations →Practical example
- 15:5215:52, 30 November 2023 diff hist +257 Intrinsic-reaction-coordinate calculations →Practical example
- 15:5015:50, 30 November 2023 diff hist +179 Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 15:4615:46, 30 November 2023 diff hist +5 Intrinsic-reaction-coordinate calculations →Practical example Tag: Manual revert
- 15:4615:46, 30 November 2023 diff hist −5 Intrinsic-reaction-coordinate calculations →Practical example
- 15:4315:43, 30 November 2023 diff hist +12 Intrinsic-reaction-coordinate calculations →Practical example
- 15:4115:41, 30 November 2023 diff hist +163 m File:GenerateMLFF.zip No edit summary current Tag: Visual edit
- 15:3915:39, 30 November 2023 diff hist 0 N File:GenerateMLFF.zip No edit summary
- 15:2915:29, 30 November 2023 diff hist +121 m Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 11:4011:40, 30 November 2023 diff hist +51 Intrinsic-reaction-coordinate calculations →Practical example
- 11:3911:39, 30 November 2023 diff hist −7 Intrinsic-reaction-coordinate calculations →Practical example
- 11:2611:26, 30 November 2023 diff hist +34 Intrinsic-reaction-coordinate calculations →Practical example
- 11:2011:20, 30 November 2023 diff hist +2 Intrinsic-reaction-coordinate calculations →Practical example
- 11:2011:20, 30 November 2023 diff hist −78 m Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 11:1911:19, 30 November 2023 diff hist +1,129 Intrinsic-reaction-coordinate calculations →Practical example
- 11:0811:08, 30 November 2023 diff hist +329 m Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 10:5110:51, 30 November 2023 diff hist +206 Intrinsic-reaction-coordinate calculations →Practical example
- 10:4910:49, 30 November 2023 diff hist −60 m Intrinsic-reaction-coordinate calculations No edit summary Tag: Visual edit
- 10:4510:45, 30 November 2023 diff hist +128 Intrinsic-reaction-coordinate calculations →Practical example
- 10:4310:43, 30 November 2023 diff hist +1,053 Intrinsic-reaction-coordinate calculations No edit summary
- 10:4010:40, 30 November 2023 diff hist +296 m Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 10:3410:34, 30 November 2023 diff hist +73 Intrinsic-reaction-coordinate calculations →Practical example
- 10:3310:33, 30 November 2023 diff hist +80 Intrinsic-reaction-coordinate calculations No edit summary
- 10:2710:27, 30 November 2023 diff hist −1 Intrinsic-reaction-coordinate calculations No edit summary
- 10:2110:21, 30 November 2023 diff hist +78 Intrinsic-reaction-coordinate calculations No edit summary
6 November 2023
- 13:0613:06, 6 November 2023 diff hist +1 NHC NS No edit summary current
- 13:0613:06, 6 November 2023 diff hist +1 NHC NS No edit summary
- 10:3710:37, 6 November 2023 diff hist −3 Intrinsic-reaction-coordinate calculations No edit summary
- 10:3710:37, 6 November 2023 diff hist −50 Intrinsic-reaction-coordinate calculations No edit summary
- 10:3610:36, 6 November 2023 diff hist +103 Intrinsic-reaction-coordinate calculations No edit summary
- 10:3510:35, 6 November 2023 diff hist −20 IRC VNORM0 No edit summary
- 10:3410:34, 6 November 2023 diff hist +161 IRC MAXSTEP No edit summary
- 10:3410:34, 6 November 2023 diff hist +161 IRC MINSTEP No edit summary