User contributions for Singraber
27 March 2024
- 14:2714:27, 27 March 2024 diff hist +216 ML OUTBLOCK No edit summary current
- 14:2314:23, 27 March 2024 diff hist +211 ML OUTBLOCK No edit summary
- 14:1814:18, 27 March 2024 diff hist 0 Template:Table - Output interval options No edit summary current
- 14:1614:16, 27 March 2024 diff hist +173 Template:Table - Output interval options No edit summary
- 13:1713:17, 27 March 2024 diff hist +148 Template:Table - Output interval options No edit summary
- 13:1113:11, 27 March 2024 diff hist +2,373 N Template:Table - Output interval options Created page with "{| class="wikitable" ! Output file/property !! {{TAG|NBLOCK}} !! colspan="2" | {{TAG|ML_OUTBLOCK}} |- | || || <math>\leq</math> 6.4.2 || <math>\geq</math> 6.4.3 |- | screen output || no || yes || yes |- | {{FILE|OSZICAR}} || no || yes || yes |- | {{FILE|OUTCAR}} || colspan="3" | |- |  ..."
22 March 2024
- 10:5710:57, 22 March 2024 diff hist −25 MDALGO →{{TAG|MDALGO}}=5: Canonical sampling through velocity-rescaling (CSVR thermostat) current
21 March 2024
- 13:4913:49, 21 March 2024 diff hist −1 IWAVPR No edit summary
20 March 2024
- 20:0120:01, 20 March 2024 diff hist +101 ML OUTBLOCK No edit summary
- 15:4115:41, 20 March 2024 diff hist −8 ML DESC TYPE No edit summary current
- 15:4015:40, 20 March 2024 diff hist +2 ML OUTPUT MODE No edit summary current
- 15:3015:30, 20 March 2024 diff hist +480 ML OUTPUT MODE No edit summary
- 14:1314:13, 20 March 2024 diff hist +621 ML OUTBLOCK No edit summary
- 13:3213:32, 20 March 2024 diff hist −53 NBLOCK No edit summary current
- 09:2809:28, 20 March 2024 diff hist −158 ML MB MIN No edit summary current
26 February 2024
- 11:0011:00, 26 February 2024 diff hist +406 Template:CB No edit summary current
19 February 2024
- 10:2310:23, 19 February 2024 diff hist +269 ML EATOM REF No edit summary current
- 10:1010:10, 19 February 2024 diff hist +351 ML EATOM REF No edit summary
- 10:0210:02, 19 February 2024 diff hist +1 ML ISCALE TOTEN No edit summary current
- 09:3909:39, 19 February 2024 diff hist +3,454 ML MB MIN No edit summary
16 February 2024
- 13:4313:43, 16 February 2024 diff hist −3 ML OUTBLOCK No edit summary
- 13:3713:37, 16 February 2024 diff hist +78 ML OUTBLOCK No edit summary
- 13:3313:33, 16 February 2024 diff hist +103 NBLOCK No edit summary
- 13:3113:31, 16 February 2024 diff hist +21 NBLOCK →Related tags and articles
- 13:0613:06, 16 February 2024 diff hist +15 KBLOCK No edit summary current
- 13:0113:01, 16 February 2024 diff hist +401 NBLOCK No edit summary
- 12:4212:42, 16 February 2024 diff hist −33 PCDAT No edit summary current
- 11:0311:03, 16 February 2024 diff hist +28 ML MB MIN No edit summary
15 February 2024
- 17:1117:11, 15 February 2024 diff hist +156 ML MB No edit summary current
- 17:0417:04, 15 February 2024 diff hist +607 ML MB MIN No edit summary
- 15:5315:53, 15 February 2024 diff hist 0 ML MB MIN No edit summary
9 February 2024
- 22:3922:39, 9 February 2024 diff hist +1 BEXT No edit summary
- 22:3822:38, 9 February 2024 diff hist −1,722 Template:CB No edit summary
- 21:4521:45, 9 February 2024 diff hist −304 Template:CB No edit summary
- 16:3516:35, 9 February 2024 diff hist −90 Template:CB No edit summary
- 16:2716:27, 9 February 2024 diff hist +2,949 Template:CB No edit summary
- 15:0715:07, 9 February 2024 diff hist +2,920 Template:CB No edit summary
- 13:2313:23, 9 February 2024 diff hist +40 ML MB MIN No edit summary
- 13:2013:20, 9 February 2024 diff hist +635 N ML MB MIN Created page with "{{TAGDEF|ML_MB_MIN|[integer]}} {{DEF|ML_MB_MIN|2|}} Description: {{TAG|ML_MB_MIN}} sets the minimum number of local reference configurations required for generation of a machine-learned force field. ---- == Related tags and articles== {{TAG|ML_LMLFF}}, {{TAG|ML_MODE}}, {{TAG|ML_MB}}, {{TAG|ML_MCONF_NEW}}, {{TAG|ML_MCONF}}, {{TAG| ML_LBASIS_DISCARD}} {{sc|ML_MB_MIN|Examples|Examples that use this tag}} ---- <!-- Link to categories like this: Category:INCARCatego..."
- 12:5812:58, 9 February 2024 diff hist −36 BEXT No edit summary
- 12:5612:56, 9 February 2024 diff hist +1,167 Template:CB No edit summary
- 12:3112:31, 9 February 2024 diff hist +349 N Template:CB Created page with "{{{1}}}<noinclude> == Purpose == Create a code block which can be indented with the usual <code>:</code> indentation marker. == Parameters == <nowiki> {{CB|<content>|<<padding>>}}</nowiki> == Examples == Without optional arguments these boxes are available: <nowiki> {{CB|MY_SPECIAL_TAG = A B C}} {{CB|MY_SPECIAL_TAG = A B C}} </noinclude>"
- 11:1811:18, 9 February 2024 diff hist −1 BEXT No edit summary
- 11:0811:08, 9 February 2024 diff hist +47 BEXT No edit summary
21 November 2023
- 10:3810:38, 21 November 2023 diff hist −32 NVE ensemble No edit summary current
- 10:3810:38, 21 November 2023 diff hist +89 NpH ensemble No edit summary current
- 10:0510:05, 21 November 2023 diff hist +487 Category:Ensembles →Theory current
- 09:1709:17, 21 November 2023 diff hist −43 Category:Ensembles →Introduction
20 November 2023
- 16:3316:33, 20 November 2023 diff hist +1 Category:Ensembles →Theory
- 16:3216:32, 20 November 2023 diff hist +23 Template:MDCOMBINATIONS No edit summary current