User contributions for Karsai

16 October 2024

• 11:4811:48, 16 October 2024 diff hist −61‎ OFIELD A ‎No edit summary current
• 11:4811:48, 16 October 2024 diff hist −5,100‎ Category:Interface pinning ‎ Blanked the page current Tag: Blanking
• 11:4811:48, 16 October 2024 diff hist −1,098‎ Interface pinning calculations ‎No edit summary
• 11:4711:47, 16 October 2024 diff hist +3,110‎ Interface pinning ‎ Removed redirect to Category:Interface pinning Tag: Removed redirect
• 11:4711:47, 16 October 2024 diff hist −18‎ Category:Advanced molecular-dynamics sampling ‎ →‎Interface pinning
• 11:4711:47, 16 October 2024 diff hist −23‎ Category:Advanced molecular-dynamics sampling ‎ →‎How to
• 11:4611:46, 16 October 2024 diff hist +3,110‎ Interface pinning calculations ‎ Removed redirect to Category:Interface pinning Tag: Removed redirect
• 11:4211:42, 16 October 2024 diff hist −51‎ Biased molecular dynamics calculations ‎ →‎Related methods in VASP
• 11:4211:42, 16 October 2024 diff hist +9,382‎ N Biased molecular dynamics calculations ‎ Created page with "== How to == *First one needs to setup a standard molecular dynamics run. The bias potentials are supported in both the NVT and NpT MD simulations, regardless of the particular thermostat and/or barostat setting. {{NB|mind|Mind that for VASP 5.x the biased molecular dynamics runs have to be chosen by adding 10 to the chosen value of {{TAG|MDALGO}}. E.g. {{TAG|MDALGO}}..."
• 11:4111:41, 16 October 2024 diff hist −19‎ Category:Advanced molecular-dynamics sampling ‎ →‎How to
• 11:4011:40, 16 October 2024 diff hist +3,120‎ Biased molecular dynamics ‎ Removed redirect to Category:Biased molecular dynamics current Tag: Removed redirect
• 11:3811:38, 16 October 2024 diff hist −43‎ SHAKEMAXITER ‎No edit summary
• 11:3711:37, 16 October 2024 diff hist −43‎ SHAKETOL ‎No edit summary

15 October 2024

• 12:2612:26, 15 October 2024 diff hist −1‎ ML LBASIS DISCARD ‎No edit summary current
• 12:2412:24, 15 October 2024 diff hist 0‎ ML LBASIS DISCARD ‎No edit summary
• 10:0710:07, 15 October 2024 diff hist −201‎ Category:Biased molecular dynamics ‎No edit summary
• 09:5909:59, 15 October 2024 diff hist +6‎ Constrained molecular dynamics ‎ →‎References current
• 09:5909:59, 15 October 2024 diff hist +6‎ Constrained molecuar dynamics calculations ‎No edit summary current
• 09:5809:58, 15 October 2024 diff hist −5‎ Constrained molecular dynamics ‎ →‎References
• 09:5809:58, 15 October 2024 diff hist −2‎ Constrained molecular dynamics ‎ →‎References
• 09:5809:58, 15 October 2024 diff hist +16‎ Constrained molecular dynamics ‎No edit summary
• 09:5809:58, 15 October 2024 diff hist −25‎ Constrained molecular dynamics ‎No edit summary
• 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