User contributions for Tobias

23 November 2021

• 09:5809:58, 23 November 2021 diff hist +57‎ m Construction:Unitary Matrix Constrained Optimization ‎No edit summary
• 07:5607:56, 23 November 2021 diff hist +383‎ Construction:Unitary Matrix Constrained Optimization ‎ even more flags
• 07:5207:52, 23 November 2021 diff hist +957‎ Construction:Unitary Matrix Constrained Optimization ‎ morer flags
• 07:0607:06, 23 November 2021 diff hist +2,204‎ Construction:Unitary Matrix Constrained Optimization ‎ some more sections

22 November 2021

• 15:2315:23, 22 November 2021 diff hist +168‎ N Construction:Unitary Matrix Constrained Optimization ‎ init entry

13 June 2021

• 16:3216:32, 13 June 2021 diff hist −10‎ m LOCPROJ ‎ Undo revision 12602 by Tobias (talk) Sorry! Tag: Undo
• 10:0110:01, 13 June 2021 diff hist +10‎ m LOCPROJ ‎ The second option for Hydrogen like functions is the effective nuclear charge (instead of alpha). Tag: Visual edit

7 July 2020

• 10:1310:13, 7 July 2020 diff hist +205‎ m ALGO ‎ added info for MP2 algorithm

26 March 2019

• 18:1518:15, 26 March 2019 diff hist +87‎ Stochastic LTMP2 ‎No edit summary
• 18:1418:14, 26 March 2019 diff hist +63‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 18:1418:14, 26 March 2019 diff hist +1‎ LTMP2 - Tutorial ‎No edit summary
• 18:1318:13, 26 March 2019 diff hist +86‎ LTMP2 - Tutorial ‎No edit summary

31 January 2019

• 15:3315:33, 31 January 2019 diff hist +10‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 14:4514:45, 31 January 2019 diff hist −9‎ LTMP2 - Tutorial ‎No edit summary
• 14:4514:45, 31 January 2019 diff hist +47‎ LTMP2 - Tutorial ‎No edit summary

28 January 2019

• 16:4016:40, 28 January 2019 diff hist +10‎ Stochastic LTMP2 ‎No edit summary
• 16:4016:40, 28 January 2019 diff hist +10‎ LTMP2 - Tutorial ‎No edit summary
• 16:3916:39, 28 January 2019 diff hist +2‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 13:2713:27, 28 January 2019 diff hist +15‎ MP2 ground state calculation - Tutorial ‎No edit summary

26 January 2019

• 10:1510:15, 26 January 2019 diff hist +60‎ Stochastic LTMP2 ‎No edit summary

25 January 2019

• 17:0717:07, 25 January 2019 diff hist +380‎ Stochastic LTMP2 ‎No edit summary
• 15:2615:26, 25 January 2019 diff hist +8‎ Stochastic LTMP2 ‎No edit summary
• 15:2615:26, 25 January 2019 diff hist +6‎ Stochastic LTMP2 ‎No edit summary
• 15:2515:25, 25 January 2019 diff hist +2,806‎ Stochastic LTMP2 ‎No edit summary
• 14:3514:35, 25 January 2019 diff hist +147‎ LTMP2 - Tutorial ‎No edit summary
• 14:3314:33, 25 January 2019 diff hist +147‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 14:3014:30, 25 January 2019 diff hist −130‎ MP2 ground state calculation - Tutorial ‎No edit summary

17 January 2019

• 11:3611:36, 17 January 2019 diff hist −1‎ MP2 ground state calculation - Tutorial ‎No edit summary

21 November 2018

• 10:3410:34, 21 November 2018 diff hist +118‎ LTMP2 - Tutorial ‎No edit summary
• 10:3110:31, 21 November 2018 diff hist +71‎ LTMP2 - Tutorial ‎No edit summary
• 10:2410:24, 21 November 2018 diff hist −1‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 10:2310:23, 21 November 2018 diff hist +13‎ MP2 ground state calculation - Tutorial ‎No edit summary

7 November 2018

• 11:1611:16, 7 November 2018 diff hist 0‎ MP2 ground state calculation - Tutorial ‎No edit summary

28 September 2018

• 09:2309:23, 28 September 2018 diff hist −142‎ m LTMP2 - Tutorial ‎No edit summary

27 September 2018

• 16:0016:00, 27 September 2018 diff hist +67‎ MP2 ground state calculation - Tutorial ‎ →‎Actual MP2 calculations
• 15:5915:59, 27 September 2018 diff hist +84‎ MP2 ground state calculation - Tutorial ‎ →‎Calculating the unoccupied Hartree-Fock orbitals
• 15:5615:56, 27 September 2018 diff hist +249‎ LTMP2 - Tutorial ‎ →‎NOMEGA flag
• 15:5115:51, 27 September 2018 diff hist −23‎ LTMP2 - Tutorial ‎No edit summary
• 15:5115:51, 27 September 2018 diff hist +4‎ LTMP2 - Tutorial ‎ →‎NOMEGA flag
• 15:5015:50, 27 September 2018 diff hist +974‎ LTMP2 - Tutorial ‎No edit summary
• 15:3315:33, 27 September 2018 diff hist +1,698‎ N LTMP2 - Tutorial ‎ Tutorial for LTMP2 calculations
• 14:5314:53, 27 September 2018 diff hist +1,036‎ MP2 ground state calculation - Tutorial ‎ added HF+HFV step

29 March 2018

• 16:5516:55, 29 March 2018 diff hist +37‎ Stochastic LTMP2 ‎No edit summary
• 10:5610:56, 29 March 2018 diff hist +1,749‎ N Stochastic LTMP2 ‎ Created page with "(UNDER CONSTRUCTION) == Parallelization == The stochastic LTMP2 algorithm supports parallelization with MPI and OpenMP (OMP). The optimal setting is to set the number of MPI..."

28 March 2018

• 13:4213:42, 28 March 2018 diff hist −55‎ MP2 ground state calculation - Tutorial ‎No edit summary

27 March 2018

• 15:3015:30, 27 March 2018 diff hist +651‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 14:1014:10, 27 March 2018 diff hist +536‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 14:0114:01, 27 March 2018 diff hist +265‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 13:4813:48, 27 March 2018 diff hist +688‎ MP2 ground state calculation - Tutorial ‎No edit summary
• 13:3213:32, 27 March 2018 diff hist +1,050‎ N MP2 ground state calculation - Tutorial ‎ Created page with "{{Template:mp2}} This tutorial introduces how to calculate the ground state energy using second order Møller-Plesset perturbation theory (MP2) with VASP. Currently there are..."