User contributions for Karsai

12:5012:50, 13 March 2019 diff hist −9‎ MDALGO ‎ →‎{{TAG|MDALGO}}=21: Biased-MD and metadynamics with Nose-Hoover Thermostat
12:4812:48, 13 March 2019 diff hist −2,525‎ MDALGO ‎ →‎Metadynamics
12:4712:47, 13 March 2019 diff hist +43‎ SHAKEMAXITER ‎No edit summary
12:4712:47, 13 March 2019 diff hist +43‎ SHAKETOL ‎No edit summary
12:4612:46, 13 March 2019 diff hist −19‎ Category:Interface pinning ‎No edit summary
12:4612:46, 13 March 2019 diff hist +74‎ Category:Molecular Dynamics ‎No edit summary
12:4512:45, 13 March 2019 diff hist +198‎ N Category:Metadynamics ‎ Created page with "== Theory == *Metadynamics: {{TAG|Metadynamics}}. == How to == *Metadynamics: {{TAG|Metadynamics}}. ---- Contents MetadynamicsCatego..."
12:4412:44, 13 March 2019 diff hist +37‎ Interface pinning calculations ‎No edit summary
12:4412:44, 13 March 2019 diff hist +44‎ Metadynamics ‎No edit summary
12:4312:43, 13 March 2019 diff hist −1,896‎ Metadynamics ‎No edit summary
12:4212:42, 13 March 2019 diff hist +2,623‎ Metadynamics ‎No edit summary
12:4212:42, 13 March 2019 diff hist −695‎ MDALGO ‎ →‎References
12:4112:41, 13 March 2019 diff hist +695‎ MDALGO ‎ Undo revision 6966 by Karsai (talk)
12:4112:41, 13 March 2019 diff hist −695‎ MDALGO ‎ →‎References
12:4012:40, 13 March 2019 diff hist +696‎ MDALGO ‎ →‎Metadynamics
12:3912:39, 13 March 2019 diff hist +18‎ MDALGO ‎ →‎References
12:3912:39, 13 March 2019 diff hist −29‎ MDALGO ‎ →‎References
12:3812:38, 13 March 2019 diff hist +2,523‎ N Metadynamics ‎ Created page with "In metadynamics,<ref name="Laio02"/><ref name="Iannuzzi03"/> the bias potential that acts on a selected number of geometric parameters (collective variables) ξ={ξ<sub>1<..."
12:3812:38, 13 March 2019 diff hist 0‎ MDALGO ‎ →‎Metadynamics
12:2212:22, 13 March 2019 diff hist +21‎ MDALGO ‎ →‎Metadynamics
12:2012:20, 13 March 2019 diff hist −106‎ MDALGO ‎ →‎Constrained molecular dynamics
12:1812:18, 13 March 2019 diff hist −2,006‎ MDALGO ‎ →‎Constrained molecular dynamics
12:1812:18, 13 March 2019 diff hist +40‎ Category:Molecular Dynamics ‎No edit summary
12:0912:09, 13 March 2019 diff hist 0‎ Category:Constrained molecular dynamics ‎No edit summary
12:0912:09, 13 March 2019 diff hist +233‎ N Category:Constrained molecular dynamics ‎ Created page with "== Theory == *Interface pinning: {{TAG|Interface pinning calculations}}. == How to == *Interface pinning: {{TAG|Interface pinning calculations}}. ---- Category:VASP|Const..."
12:0812:08, 13 March 2019 diff hist −214‎ Category:Interface pinning ‎No edit summary
12:0612:06, 13 March 2019 diff hist +43‎ Constrained molecular dynamics ‎No edit summary
12:0512:05, 13 March 2019 diff hist +282‎ Constrained molecular dynamics ‎No edit summary
12:0412:04, 13 March 2019 diff hist +2,005‎ N Constrained molecular dynamics ‎ Created page with "<div id="SHAKE"></div> Constrained molecular dynamics is performed using the SHAKE algorithm.<ref name="Ryckaert77"/>. In this algorithm, the Lagrangian for the system <math>\..."
12:0312:03, 13 March 2019 diff hist +39‎ MDALGO ‎ →‎Constrained molecular dynamics
11:1311:13, 13 March 2019 diff hist +37‎ Category:Transition states ‎No edit summary

17:4817:48, 11 March 2019 diff hist −29‎ KPAR ‎No edit summary
17:4817:48, 11 March 2019 diff hist −29‎ LASYNC ‎No edit summary
17:4817:48, 11 March 2019 diff hist −29‎ LPLANE ‎No edit summary
17:4817:48, 11 March 2019 diff hist −29‎ LSCALAPACK ‎No edit summary
17:4717:47, 11 March 2019 diff hist −29‎ LSCALU ‎No edit summary
17:4717:47, 11 March 2019 diff hist +24‎ NTAUPAR ‎No edit summary
17:4717:47, 11 March 2019 diff hist −5‎ NSIM ‎No edit summary
17:4717:47, 11 March 2019 diff hist +24‎ NOMEGAPAR ‎No edit summary
17:4617:46, 11 March 2019 diff hist −5‎ NCORE ‎No edit summary
17:4617:46, 11 March 2019 diff hist +24‎ LSCALU ‎No edit summary
17:4617:46, 11 March 2019 diff hist +24‎ LSCALAPACK ‎No edit summary
17:4617:46, 11 March 2019 diff hist +24‎ LPLANE ‎ →‎Related Tags and Sections
17:4617:46, 11 March 2019 diff hist +24‎ LASYNC ‎No edit summary
17:4617:46, 11 March 2019 diff hist +24‎ KPAR ‎No edit summary
17:4517:45, 11 March 2019 diff hist −4‎ CUDA-C GPU port of VASP ‎No edit summary
17:4517:45, 11 March 2019 diff hist +28‎ CUDA-C GPU port of VASP ‎No edit summary
17:4417:44, 11 March 2019 diff hist +25‎ Output ‎No edit summary
17:4317:43, 11 March 2019 diff hist +24‎ Input ‎ →‎{{TAG|POTCAR}}
17:4317:43, 11 March 2019 diff hist +25‎ Input and Output - Tutorial ‎No edit summary

13 March 2019

11 March 2019