User contributions for Huebsch
18 May 2022
- 12:5812:58, 18 May 2022 diff hist +110 Construction:TODO No edit summary
- 12:5512:55, 18 May 2022 diff hist +38 N Charge density Huebsch moved page Charge density to Category:Charge density current Tag: New redirect
- 12:5512:55, 18 May 2022 diff hist 0 m Category:Charge density Huebsch moved page Charge density to Category:Charge density
- 12:5512:55, 18 May 2022 diff hist 0 N Category:Charge density Created blank page
16 May 2022
- 08:3608:36, 16 May 2022 diff hist +240 Construction:TODO No edit summary
11 May 2022
- 14:2614:26, 11 May 2022 diff hist −6 KPOINTS OPT No edit summary
- 13:0213:02, 11 May 2022 diff hist +175 Category:Hybrid functionals No edit summary
- 12:5212:52, 11 May 2022 diff hist 0 m Band-structure calculation using hybrid functionals Huebsch moved page Construction:Band-structure calculation using hybrid functionals to Band-structure calculation using hybrid functionals without leaving a redirect
- 10:0910:09, 11 May 2022 diff hist +359 Known issues No edit summary
- 09:5609:56, 11 May 2022 diff hist +847 Band-structure calculation using hybrid functionals No edit summary
10 May 2022
- 14:3314:33, 10 May 2022 diff hist +19 Band-structure calculation using hybrid functionals No edit summary
- 14:2814:28, 10 May 2022 diff hist +3,668 Band-structure calculation using hybrid functionals No edit summary
- 11:4811:48, 10 May 2022 diff hist −18 LFOCKACE No edit summary
- 09:5309:53, 10 May 2022 diff hist +4,670 N Band-structure calculation using hybrid functionals Created page with "For hybrid functionals, the Hamiltonian cannot be expressed in terms of the electronic charge density alone. Instead, the Kohn-Sham orbitals..."
6 May 2022
- 09:2809:28, 6 May 2022 diff hist +2,425 N Best practices for machine-learned force fields Created page with "Using the machine-learning–force-fields method, VASP can construct force fields based on ab-initio simulations. There are many asp..."
5 May 2022
- 09:3309:33, 5 May 2022 diff hist +18 KPOINTS →Related tags and sections
28 April 2022
- 10:3310:33, 28 April 2022 diff hist 0 m Category:Machine-learned force fields Huebsch moved page Construction:Machine-learned force fields to Category:Machine-learned force fields without leaving a redirect
- 09:2809:28, 28 April 2022 diff hist +2 Category:Machine-learned force fields No edit summary
- 09:2109:21, 28 April 2022 diff hist +4,033 N Category:Machine-learned force fields Created page with "'''Machine-learned force fields''' from ab-initio molecular dynamics (MD) allow capturing the underlying physics from first principles and sti..."
27 April 2022
- 16:3616:36, 27 April 2022 diff hist −35 KPOINTS No edit summary
- 16:3116:31, 27 April 2022 diff hist 0 m KPOINTS Huebsch moved page Construction:KPOINTS to KPOINTS without leaving a redirect
- 16:2616:26, 27 April 2022 diff hist +1,121 KPOINTS No edit summary
- 13:3513:35, 27 April 2022 diff hist +373 Category:Band structure No edit summary current
12 April 2022
- 17:2817:28, 12 April 2022 diff hist +431 Category:Parallelization No edit summary
- 17:2817:28, 12 April 2022 diff hist −27 Combining MPI and OpenMP No edit summary
- 12:2012:20, 12 April 2022 diff hist +134 Optimizing the parallelization No edit summary
- 10:0010:00, 12 April 2022 diff hist +1,876 Optimizing the parallelization No edit summary
- 09:1009:10, 12 April 2022 diff hist +205 Category:Parallelization No edit summary
- 08:4008:40, 12 April 2022 diff hist +157 Combining MPI and OpenMP No edit summary
11 April 2022
- 14:3114:31, 11 April 2022 diff hist +48 OpenACC GPU port of VASP →Running the OpenACC version
- 14:1514:15, 11 April 2022 diff hist +4,460 Category:Parallelization Removed redirect to Parallelization Tag: Removed redirect
- 14:0614:06, 11 April 2022 diff hist +11,410 N Combining MPI and OpenMP Created page with "VASP can be built with a combination of OpenMP threading and parallelization of MPI ranks. This is beneficial for some calculations and requires passing the desired number of..."
- 13:5213:52, 11 April 2022 diff hist +1,984 N Optimizing the parallelization Created page with "The best parallelization setup of a VASP calculation needs to be tested for each system, algorithm and computer architecture. Below, we offer gen..."
- 13:4613:46, 11 April 2022 diff hist +41 N Transition states Redirected page to Category:Transition States current Tag: New redirect
- 07:5307:53, 11 April 2022 diff hist −8 The VASP Manual No edit summary
- 07:2507:25, 11 April 2022 diff hist +2 Category:Advanced molecular-dynamics sampling No edit summary
- 07:2307:23, 11 April 2022 diff hist +94 PCDAT No edit summary
- 07:1507:15, 11 April 2022 diff hist −1,853 Construction:TODO No edit summary
- 07:1407:14, 11 April 2022 diff hist +31 Known issues No edit summary
8 April 2022
- 15:1015:10, 8 April 2022 diff hist 0 Category:Performance No edit summary
- 15:0915:09, 8 April 2022 diff hist −4 Category:Performance No edit summary
- 15:0915:09, 8 April 2022 diff hist +52 Category:Performance No edit summary
- 13:5113:51, 8 April 2022 diff hist +57 The VASP Manual No edit summary
- 13:4913:49, 8 April 2022 diff hist +30 N Forces Redirected page to Category:Forces current Tags: New redirect Visual edit: Switched
- 13:4613:46, 8 April 2022 diff hist 0 m Hellmann-Feynman forces Huebsch moved page Forces to Hellmann-Feynman forces without leaving a redirect current
- 13:4413:44, 8 April 2022 diff hist 0 Constrained–random-phase–approximation formalism No edit summary
- 13:4213:42, 8 April 2022 diff hist −10 Category:Many-body perturbation theory No edit summary current
- 13:4213:42, 8 April 2022 diff hist +4 Category:Many-body perturbation theory No edit summary
- 13:4113:41, 8 April 2022 diff hist +66 N CRPA formalism Redirected page to Constrained–random-phase–approximation formalism current Tag: New redirect
- 13:4113:41, 8 April 2022 diff hist 0 m Constrained–random-phase–approximation formalism Huebsch moved page Construction:Constrained random-phase approximation to Constrained–random-phase–approximation formalism without leaving a redirect