User contributions for Tbucko

24 October 2022

• 12:4312:43, 24 October 2022 diff hist +131‎ Many-body dispersion energy ‎No edit summary Tag: Visual edit: Switched
• 12:3812:38, 24 October 2022 diff hist +85‎ m Many-body dispersion energy with fractionally ionic model for polarizability ‎No edit summary Tag: Visual edit
• 12:3612:36, 24 October 2022 diff hist +23‎ Many-body dispersion energy with fractionally ionic model for polarizability ‎No edit summary Tag: Visual edit
• 12:3012:30, 24 October 2022 diff hist +2,702‎ N Many-body dispersion energy with fractionally ionic model for polarizability ‎ Created page with "Details of implementation of the MBD@rsSCS method in VASP are presented in reference {{cite|gould:jctc:16}}. {{NB|mind|This method requires the use of {{TAG|POTCAR}} files fr..."
• 12:2212:22, 24 October 2022 diff hist +154‎ IVDW ‎No edit summary

4 October 2022

• 13:3413:34, 4 October 2022 diff hist +64‎ Tkatchenko-Scheffler method ‎No edit summary
• 13:3313:33, 4 October 2022 diff hist +106‎ DFT-D2 ‎No edit summary
• 13:2713:27, 4 October 2022 diff hist +164‎ LVDW EWALD ‎No edit summary Tag: Visual edit: Switched

13 May 2022

• 14:2314:23, 13 May 2022 diff hist +1‎ Many-body dispersion energy ‎No edit summary
• 14:2014:20, 13 May 2022 diff hist −5‎ Self-consistent screening in Tkatchenko-Scheffler method ‎No edit summary

18 April 2022

• 16:1516:15, 18 April 2022 diff hist +18‎ Blue-moon ensemble ‎No edit summary Tag: Visual edit
• 16:1316:13, 18 April 2022 diff hist +263‎ Blue-moon ensemble ‎No edit summary
• 16:0616:06, 18 April 2022 diff hist +647‎ Blue-moon ensemble ‎No edit summary Tag: Visual edit
• 15:5315:53, 18 April 2022 diff hist +71‎ Blue-moon ensemble ‎No edit summary Tag: Visual edit
• 15:4715:47, 18 April 2022 diff hist +196‎ Blue-moon ensemble ‎No edit summary
• 15:4315:43, 18 April 2022 diff hist +17‎ Blue-moon ensemble ‎No edit summary
• 15:4215:42, 18 April 2022 diff hist +17‎ Blue-moon ensemble ‎No edit summary
• 15:4115:41, 18 April 2022 diff hist +143‎ Blue-moon ensemble ‎No edit summary
• 15:4015:40, 18 April 2022 diff hist +140‎ Blue-moon ensemble ‎No edit summary
• 15:3915:39, 18 April 2022 diff hist −31‎ Blue-moon ensemble ‎No edit summary
• 15:3815:38, 18 April 2022 diff hist +130‎ Blue-moon ensemble ‎No edit summary
• 15:3415:34, 18 April 2022 diff hist +9‎ Blue-moon ensemble ‎No edit summary
• 15:3315:33, 18 April 2022 diff hist +227‎ m Blue-moon ensemble ‎No edit summary Tag: Visual edit
• 15:2915:29, 18 April 2022 diff hist −24‎ Blue-moon ensemble ‎No edit summary
• 15:2415:24, 18 April 2022 diff hist −1‎ Constrained molecular dynamics ‎No edit summary
• 15:1215:12, 18 April 2022 diff hist +2‎ Blue-moon ensemble ‎No edit summary
• 15:1115:11, 18 April 2022 diff hist +145‎ Blue-moon ensemble ‎No edit summary
• 14:5814:58, 18 April 2022 diff hist 0‎ Category:Advanced molecular-dynamics sampling ‎No edit summary current
• 14:5614:56, 18 April 2022 diff hist +125‎ Constrained molecular dynamics ‎No edit summary
• 14:5114:51, 18 April 2022 diff hist +13‎ Constrained molecular dynamics ‎No edit summary
• 14:4814:48, 18 April 2022 diff hist −32‎ Constrained molecular dynamics ‎No edit summary
• 14:4414:44, 18 April 2022 diff hist +91‎ Blue-moon ensemble ‎No edit summary
• 14:2314:23, 18 April 2022 diff hist −737‎ Constrained molecular dynamics ‎No edit summary
• 14:2214:22, 18 April 2022 diff hist −1,687‎ Constrained molecular dynamics ‎No edit summary
• 14:2114:21, 18 April 2022 diff hist +2,733‎ N Blue-moon ensemble ‎ Created page with "In general, constrained molecular dynamics generates biased statistical averages. It can be shown that the correct average for a quantity <math>a(\xi)</math> can be obtained u..."
• 14:2114:21, 18 April 2022 diff hist +1‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 14:2014:20, 18 April 2022 diff hist −1‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 14:1914:19, 18 April 2022 diff hist +2‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 14:1414:14, 18 April 2022 diff hist +47‎ Category:Advanced molecular-dynamics sampling ‎ →‎Theory

9 March 2022

• 20:4220:42, 9 March 2022 diff hist 0‎ m ICONST ‎No edit summary Tag: Visual edit
• 16:2116:21, 9 March 2022 diff hist +7‎ m ICONST ‎No edit summary Tag: Visual edit
• 16:1816:18, 9 March 2022 diff hist +84‎ m ICONST ‎ added a link to NpT MD wiki page Tag: Visual edit
• 10:1710:17, 9 March 2022 diff hist +255‎ ICONST ‎No edit summary Tag: Visual edit: Switched
• 10:0210:02, 9 March 2022 diff hist −10‎ ICONST ‎No edit summary Tag: Visual edit: Switched
• 09:5909:59, 9 March 2022 diff hist +104‎ ICONST ‎ added typical ICONST settings for NpT MD Tag: Visual edit
• 09:5409:54, 9 March 2022 diff hist +1,154‎ ICONST ‎No edit summary Tag: Visual edit: Switched

24 October 2021

• 19:0419:04, 24 October 2021 diff hist +66‎ ICONST ‎ minor corrections to my previous edit Tag: Visual edit
• 18:4018:40, 24 October 2021 diff hist +1,429‎ ICONST ‎ a more complete description of functions that can be defined via ICONST Tag: Visual edit

31 July 2018

• 11:5711:57, 31 July 2018 diff hist −8‎ LANGEVIN GAMMA ‎ →‎Practical example
• 11:5711:57, 31 July 2018 diff hist +8‎ LANGEVIN GAMMA ‎No edit summary