User contributions for Singraber

9 September 2024

• 09:0809:08, 9 September 2024 diff hist −4‎ NBLOCK ‎No edit summary

26 April 2024

• 20:2520:25, 26 April 2024 diff hist 0‎ Template:Table - Output interval options ‎No edit summary

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
• 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" | |- | &nbsp..."

22 March 2024

• 10:5710:57, 22 March 2024 diff hist −25‎ MDALGO ‎ →‎{{TAG|MDALGO}}=5: Canonical sampling through velocity-rescaling (CSVR thermostat)

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
• 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
• 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
• 09:1709:17, 21 November 2023 diff hist −43‎ Category:Ensembles ‎ →‎Introduction