User contributions for Karsai

15 October 2024

• 09:5709:57, 15 October 2024 diff hist −44‎ Constrained molecular dynamics ‎ →‎References
• 09:5709:57, 15 October 2024 diff hist −135‎ Constrained molecular dynamics ‎No edit summary
• 09:5709:57, 15 October 2024 diff hist +26‎ Category:Advanced molecular-dynamics sampling ‎ →‎Slow-growth approach
• 09:5609:56, 15 October 2024 diff hist +26‎ Category:Advanced molecular-dynamics sampling ‎ →‎Blue moon ensemble
• 09:5609:56, 15 October 2024 diff hist −4‎ Category:Advanced molecular-dynamics sampling ‎ →‎Constrained molecular dynamics
• 09:4709:47, 15 October 2024 diff hist +31‎ Category:Advanced molecular-dynamics sampling ‎ →‎Constrained molecular dynamics
• 09:4609:46, 15 October 2024 diff hist +199‎ Template:Cite ‎No edit summary
• 09:4209:42, 15 October 2024 diff hist −40‎ Category:Advanced molecular-dynamics sampling ‎ →‎Constrained molecular dynamics
• 09:4209:42, 15 October 2024 diff hist −13‎ Constrained molecuar dynamics calculations ‎No edit summary
• 09:4109:41, 15 October 2024 diff hist +656‎ N Constrained molecuar dynamics calculations ‎ Created page with "== How to == Geometric constraints are introduced by defining one or more entries with the STATUS parameter set to 0 in the {{FILE|ICONST}}-file. Constraints can be used within a standard NVT or NpT MD setting introduced by {{TAG|MDALGO}}=1|2|3. Note that fixing geometric parameters related to lattice vectors is not allowed within an NVT simulation (VASP would terminate with an error message). Constraints can be combined with restraints, time-dependent bias potentials ([..."
• 09:4109:41, 15 October 2024 diff hist −642‎ Constrained molecular dynamics ‎No edit summary
• 09:4009:40, 15 October 2024 diff hist −24‎ Category:Advanced molecular-dynamics sampling ‎ →‎How to
• 09:3909:39, 15 October 2024 diff hist +35‎ Category:Advanced molecular-dynamics sampling ‎ →‎Constrained molecular dynamics
• 09:3709:37, 15 October 2024 diff hist +49‎ NCORE IN IMAGE1 ‎No edit summary
• 09:3709:37, 15 October 2024 diff hist +49‎ VCAIMAGES ‎No edit summary
• 09:3609:36, 15 October 2024 diff hist +49‎ SCALEE ‎No edit summary
• 09:3609:36, 15 October 2024 diff hist +49‎ INCREM ‎No edit summary
• 09:3409:34, 15 October 2024 diff hist +49‎ OFIELD A ‎No edit summary
• 09:3409:34, 15 October 2024 diff hist +49‎ OFIELD KAPPA ‎No edit summary
• 09:3409:34, 15 October 2024 diff hist +49‎ OFIELD Q6 FAR ‎No edit summary
• 09:3409:34, 15 October 2024 diff hist +49‎ OFIELD Q6 NEAR ‎No edit summary
• 09:3309:33, 15 October 2024 diff hist +49‎ PENALTYPOT ‎ →‎Related tags and articles
• 09:3309:33, 15 October 2024 diff hist +49‎ FBIAS R0 ‎ →‎Related tags and articles
• 09:3309:33, 15 October 2024 diff hist +49‎ FBIAS D ‎ →‎Related tags and articles
• 09:3209:32, 15 October 2024 diff hist +49‎ FBIAS A ‎ →‎Related tags and articles
• 09:3209:32, 15 October 2024 diff hist +49‎ SPRING V0 ‎ →‎Related tags and articles
• 09:3209:32, 15 October 2024 diff hist +49‎ SPRING R0 ‎ →‎Related tags and articles
• 09:3209:32, 15 October 2024 diff hist +49‎ SPRING K ‎No edit summary
• 09:3109:31, 15 October 2024 diff hist +49‎ HILLSPOT ‎ →‎Related Tags and Sections
• 09:3009:30, 15 October 2024 diff hist +49‎ HILLS W ‎ →‎Related tags and articles
• 09:3009:30, 15 October 2024 diff hist +49‎ HILLS H ‎ →‎Related tags and articles
• 09:3009:30, 15 October 2024 diff hist +49‎ HILLS BIN ‎No edit summary
• 09:2809:28, 15 October 2024 diff hist +49‎ ICONST ‎ →‎Related tags and articles
• 09:2809:28, 15 October 2024 diff hist +49‎ SHAKEMAXITER ‎ →‎References
• 09:2709:27, 15 October 2024 diff hist +49‎ SHAKETOL ‎No edit summary
• 09:2709:27, 15 October 2024 diff hist +49‎ MDALGO ‎ →‎References current

14 October 2024

• 13:1613:16, 14 October 2024 diff hist −118‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 13:1513:15, 14 October 2024 diff hist +2‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 13:1513:15, 14 October 2024 diff hist −208‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 13:1413:14, 14 October 2024 diff hist −6‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 13:1413:14, 14 October 2024 diff hist +3,652‎ Category:Advanced molecular-dynamics sampling ‎No edit summary
• 08:4608:46, 14 October 2024 diff hist +784‎ Category:Advanced molecular-dynamics sampling ‎No edit summary

17 September 2024

• 15:2015:20, 17 September 2024 diff hist +46‎ Construction:Machine learning force field: Theory ‎ →‎Spilling factor current

13 September 2024

• 09:2109:21, 13 September 2024 diff hist +8‎ PHON LMC ‎No edit summary current

11 September 2024

• 10:4810:48, 11 September 2024 diff hist +18‎ Known issues ‎No edit summary
• 10:4710:47, 11 September 2024 diff hist +33‎ Known issues ‎No edit summary

29 August 2024

• 15:2815:28, 29 August 2024 diff hist +3‎ ML LSPARSDES ‎No edit summary current
• 15:2815:28, 29 August 2024 diff hist 0‎ ML LSPARSDES ‎No edit summary
• 15:2815:28, 29 August 2024 diff hist −4‎ ML LSPARSDES ‎No edit summary
• 15:0815:08, 29 August 2024 diff hist −2‎ ML LUSE NAMES ‎No edit summary current