User contributions for Huebsch

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
• 13:3913:39, 8 April 2022 diff hist +33‎ The VASP Manual ‎No edit summary
• 13:3713:37, 8 April 2022 diff hist +15‎ The VASP Manual ‎No edit summary
• 13:3513:35, 8 April 2022 diff hist +1‎ Category:Files ‎No edit summary current
• 13:3513:35, 8 April 2022 diff hist +24‎ Category:Files ‎No edit summary
• 13:3413:34, 8 April 2022 diff hist +18‎ Category:Files ‎No edit summary
• 13:3413:34, 8 April 2022 diff hist +30‎ Category:Files ‎No edit summary
• 13:3313:33, 8 April 2022 diff hist +29‎ N Files ‎ Redirected page to Category:Files current Tag: New redirect
• 13:3213:32, 8 April 2022 diff hist −7‎ Category:Theory ‎No edit summary
• 13:3113:31, 8 April 2022 diff hist 0‎ The VASP Manual ‎No edit summary
• 13:2913:29, 8 April 2022 diff hist +53‎ N Many-body perturbation theory ‎ Huebsch moved page Many-body perturbation theory to Category:Many-body perturbation theory current Tag: New redirect
• 13:2913:29, 8 April 2022 diff hist 0‎ m Category:Many-body perturbation theory ‎ Huebsch moved page Many-body perturbation theory to Category:Many-body perturbation theory
• 13:2913:29, 8 April 2022 diff hist +5,314‎ N Category:Many-body perturbation theory ‎ Created page with "'''Many-body perturbation theory''' includes screening and renormalization effects beyond the density-functional theory (DFT). It is based on the Green's-function formalism an..."
• 13:1613:16, 8 April 2022 diff hist 0‎ Bethe-Salpeter-equations calculations ‎No edit summary
• 12:5612:56, 8 April 2022 diff hist 0‎ The VASP Manual ‎No edit summary