User contributions for Svijay
3 July 2024
- 03:3603:36, 3 July 2024 diff hist +7 Number of k points and method for smearing →Comparing different k-point meshes current
11 June 2024
- 12:2812:28, 11 June 2024 diff hist +19 Practical considerations for transition state finding calculations No edit summary current
- 12:2412:24, 11 June 2024 diff hist +10 Practical considerations for transition state finding calculations No edit summary
- 12:2012:20, 11 June 2024 diff hist +2 Construction:PLUGINS/OCCUPANCIES No edit summary current
- 12:2012:20, 11 June 2024 diff hist +2,009 N Construction:PLUGINS/OCCUPANCIES Created page with "{{TAGDEF|PLUGINS/OCCUPANCIES| .True. {{!}} .False.|.False.}} Description: {{TAG|PLUGINS/OCCUPANCIES}} calls the Python plugin for the occupancies interface for each ionic relaxation step ---- When {{TAG|PLUGINS/OCCUPANCIES}}=.TRUE., VASP calls the <code>occupancies</code> Python function at the end of each ionic relaxation step. The primary use-case of this tag to recompute the occupancies after performing modifications through other plugins such as {{TAG|PLUGINS/LOCA..."
- 10:5010:50, 11 June 2024 diff hist +8 Construction:PLUGINS/LOCAL POTENTIAL No edit summary current Tag: Manual revert
- 10:4910:49, 11 June 2024 diff hist −8 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 10:4910:49, 11 June 2024 diff hist +41 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 10:1610:16, 11 June 2024 diff hist +2,908 N Construction:PLUGINS/STRUCTURE Created page with "{{TAGDEF|PLUGINS/STRUCTURE| .True. {{!}} .False.|.False.}} Description: {{TAG|PLUGINS/STRUCTURE}} calls the Python plugin for the structure interface for each ionic relaxation step ---- When {{TAG|PLUGINS/STRUCTURE}}=.TRUE., VASP calls the <code>structure</code> Python function at the end of each ionic relaxation step. The primary use-case of this tag is to modify the structure based on the computed energy, force and stress tensor. ==Expected inputs== The <code>stru..." current
- 10:0010:00, 11 June 2024 diff hist −5 Construction:Plugins →Installation current
- 09:5909:59, 11 June 2024 diff hist +7 Construction:Plugins No edit summary
- 09:5809:58, 11 June 2024 diff hist +8 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 09:5509:55, 11 June 2024 diff hist +8 Construction:PLUGINS/FORCE AND STRESS No edit summary current
- 09:5309:53, 11 June 2024 diff hist +3,066 N Construction:PLUGINS/FORCE AND STRESS Created page with "{{TAGDEF|PLUGINS/FORCE_AND_STRESS| .TRUE. {{!}} .FALSE.}} Description: {{TAG|PLUGINS/FORCE_AND_STRESS}} calls the Python plugin for the force and stress interface for each ionic relaxation step ---- When {{TAG|PLUGINS/FORCE_AND_STRESS}}=.TRUE., VASP calls the <code>force_and_stress</code> Python function at the end of each ionic relaxation step. The primary use-case of this tag is to modify forces and the stress tensor to be consistent with modifications to the potent..."
- 09:0709:07, 11 June 2024 diff hist 0 Construction:Plugins →Exposing interfaces through entry-points (Advanced)
- 09:0709:07, 11 June 2024 diff hist −9 Construction:Plugins No edit summary
- 09:0509:05, 11 June 2024 diff hist 0 Construction:PLUGINS/LOCAL POTENTIAL →Expected Inputs
- 09:0209:02, 11 June 2024 diff hist +652 Construction:Plugins No edit summary
- 08:5608:56, 11 June 2024 diff hist +11 Construction:Plugins →Python scripting
- 08:5508:55, 11 June 2024 diff hist +891 Construction:Plugins →Python scripting
- 08:5308:53, 11 June 2024 diff hist +1 Construction:Plugins →Installation
- 08:5208:52, 11 June 2024 diff hist +84 Construction:Plugins →Installation
- 08:5108:51, 11 June 2024 diff hist −25 Construction:Plugins →Python scripting
- 08:4908:49, 11 June 2024 diff hist +75 Construction:Plugins →Python scripting
- 08:4908:49, 11 June 2024 diff hist +505 Construction:Plugins →Python scripting
- 08:4708:47, 11 June 2024 diff hist 0 Construction:Plugins →Python Scripting
- 08:4708:47, 11 June 2024 diff hist +764 Construction:Plugins No edit summary
- 08:3708:37, 11 June 2024 diff hist +362 Construction:Plugins No edit summary
- 08:3508:35, 11 June 2024 diff hist +80 Construction:Plugins →Installation
- 08:3408:34, 11 June 2024 diff hist +323 Construction:Plugins →Installation
- 08:2808:28, 11 June 2024 diff hist −8 Construction:Plugins →Installation
- 08:2708:27, 11 June 2024 diff hist +477 Construction:Plugins No edit summary
- 08:2208:22, 11 June 2024 diff hist +123 Construction:Plugins No edit summary
- 08:1508:15, 11 June 2024 diff hist +331 N Construction:Plugins Created page with "Implementing features over VASP carries a somewhat significant overhead, both in term of code development and with maintenance. An alternative approach is to use our Plugin infrastructure. Simply write [https://www.python.org/ Python] functions in a pre-defined format and VASP will recognize and run your code while it is running."
- 07:5507:55, 11 June 2024 diff hist +13 Construction:PLUGINS/LOCAL POTENTIAL →Expected Inputs
- 07:5307:53, 11 June 2024 diff hist −89 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 07:5307:53, 11 June 2024 diff hist +31 Construction:PLUGINS/LOCAL POTENTIAL →Expected Inputs
- 07:5107:51, 11 June 2024 diff hist +966 Construction:PLUGINS/LOCAL POTENTIAL →Expected Inputs
- 07:4007:40, 11 June 2024 diff hist +30 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 07:3807:38, 11 June 2024 diff hist +368 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 07:3407:34, 11 June 2024 diff hist +27 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 07:3307:33, 11 June 2024 diff hist −1,657 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 07:2907:29, 11 June 2024 diff hist +661 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 07:2207:22, 11 June 2024 diff hist +329 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 06:5806:58, 11 June 2024 diff hist −53 Construction:PLUGINS/LOCAL POTENTIAL No edit summary
- 06:5506:55, 11 June 2024 diff hist +2,713 N Construction:PLUGINS/LOCAL POTENTIAL Created page with "{{TAGDEF|MYTAG|-1 {{!}} 0 {{!}} 1}} {{DEF|MYTAG|0|for VASP.X.X and older|1|else (if {{TAG|MYTAG}} is not set)}} Description: {{TAG|MYTAG}} sets/selects ... ---- Describe the general function of this tag and introduce all acronyms, symbols, or formulas required to understand multiple tag options. The details of the tag options are discussed below. If an abbreviation, e.g., PAW, is used in many articles, link it to the main article or category. Otherwise, the acronym shou..."
7 June 2024
- 14:5514:55, 7 June 2024 diff hist +219 Troubleshooting electronic convergence →Method-specific recommendations current
9 February 2024
- 14:0714:07, 9 February 2024 diff hist −2 Practical considerations for transition state finding calculations →References Tag: Manual revert
- 14:0714:07, 9 February 2024 diff hist +2 Practical considerations for transition state finding calculations No edit summary
- 14:0714:07, 9 February 2024 diff hist −5 Practical considerations for transition state finding calculations No edit summary