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Show new changes starting from 20:21, 28 March 2024
   
 
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27 March 2024

     14:27  ML OUTBLOCK‎‎ 2 changes history +427 [Singraber‎ (2×)]
     
14:27 (cur | prev) +216 Singraber talk contribs
     
14:23 (cur | prev) +211 Singraber talk contribs
N    14:18  Template:Table - Output interval options‎‎ 4 changes history +2,694 [Singraber‎ (4×)]
     
14:18 (cur | prev) 0 Singraber talk contribs
     
14:16 (cur | prev) +173 Singraber talk contribs
     
13:17 (cur | prev) +148 Singraber talk contribs
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13:11 (cur | prev) +2,373 Singraber talk contribs (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...")

26 March 2024

     13:20 User creation log User account Csheldon talk contribs was created by Vaspmaster talk contribs

25 March 2024

     15:54  METAGGA‎‎ 6 changes history +658 [Wolloch‎ (2×); Ftran‎ (4×)]
 m   
15:54 (cur | prev) 0 Wolloch talk contribs (→‎POTCAR files: required information: should be core electrons not core-electrons I think.) Tag: Visual edit
     
15:52 (cur | prev) +453 Wolloch talk contribs (→‎POTCAR files: required information)
     
13:49 (cur | prev) 0 Ftran talk contribs
     
13:48 (cur | prev) +50 Ftran talk contribs
     
13:39 (cur | prev) +1 Ftran talk contribs
     
13:37 (cur | prev) +154 Ftran talk contribs

24 March 2024

     14:59  Template:Cite diffhist −54 Ftran talk contribs

22 March 2024

21 March 2024

     13:49  IWAVPR diffhist −1 Singraber talk contribs
     10:24  Wannier orbitals from VASP diffhist −193 Mani talk contribs (→‎Wannier90: Remove warning)
     10:23  Known issues diffhist +384 Mani talk contribs (Add issue about wannier90 and exclude_bands) Tag: Visual edit: Switched

20 March 2024

     20:01  ML OUTBLOCK‎‎ 2 changes history +722 [Singraber‎ (2×)]
     
20:01 (cur | prev) +101 Singraber talk contribs
     
14:13 (cur | prev) +621 Singraber talk contribs
N    15:41  ML DESC TYPE‎‎ 2 changes history +3,960 [Singraber‎; Karsai‎]
     
15:41 (cur | prev) −8 Singraber talk contribs
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13:56 (cur | prev) +3,968 Karsai talk contribs (Created page with "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|0}} Description: This tag selects the descriptor type of the three-body descriptor used in machine learning force fields. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- {{NB|mind|This tag is only available for {{TAG|ML_MODE}}{{=}}'refit' and {{TAG|ML_MODE}}{{=}}'run'}}. This tag selects how the three-body descriptor is calculated and the following options are available: *{{TAG|ML_DESC_TYPE}}=0:...")
     15:40  ML OUTPUT MODE‎‎ 2 changes history +482 [Singraber‎ (2×)]
     
15:40 (cur | prev) +2 Singraber talk contribs
     
15:30 (cur | prev) +480 Singraber talk contribs
     14:10  (Deletion log) [Karsai‎ (4×)]
     
14:10 Karsai talk contribs deleted page Construction:ML NRANK SPARSDES(content was: "{{DISPLAYTITLE:ML_NRANK_SPARSDES}} {{TAGDEF|ML_NRANK_SPARSDES|[integer]|5}} Description: This tag sets the number of highest eigenvalues to which the correlation is measured within the angular descriptor sparsification (within the machine learning force field method). {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- This tag usually does not need to be changed by th...", and the only contributor was "Karsai" (talk))
     
14:09 Karsai talk contribs deleted page Construction:ML RDES SPARSDES(content was: "{{DISPLAYTITLE:ML_RDES_SPARSDES}} {{TAGDEF|ML_RDES_SPARSDES|[real]|0.5}} Description: Sets the ratio of descriptors kept during angular-descriptor sparsification. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- During angular-descriptor sparsification ({{TAG|ML_LSPARSDES}}=T), insignifi...", and the only contributor was "Karsai" (talk))
     
14:08 Karsai talk contribs deleted page Construction:ML LSPARSDES(content was: "{{DISPLAYTITLE:ML_LSPARSDES}} {{TAGDEF|ML_LSPARSDES|[logical]|.FALSE.}} Description: Specifies whether angular-descriptor sparsification is enabled within the machine learning force field method. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- To use the Machine learning force field: Theory#Sparsification of angular descriptors|sparsification of angular descripto...", and the only contributor was "Karsai" (talk))
     
14:07 Karsai talk contribs deleted page Construction:ML DESC TYPE(content was: "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|0}} Description: This tag selects the descriptor type of the three-body descriptor used in machine learning force fields. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- {{NB|mind|This tag is only available for {{TAG|ML_MODE}}{{=}}'refit' and {{TAG|ML_MODE}}{{=}}'run'}}. This tag selects how the three-bo...", and the only contributor was "Karsai" (talk))
     14:01  ML NRANK SPARSDES diffhist +138 Karsai talk contribs
     14:01  ML RDES SPARSDES diffhist +79 Karsai talk contribs
     14:00  ML LSPARSDES diffhist +852 Karsai talk contribs
     13:55  Machine learning force field: Theory diffhist +445 Karsai talk contribs
     13:50  Best practices for machine-learned force fields diffhist +4,522 Karsai talk contribs
     13:44  Toolchains diffhist +1,164 Vaspmaster talk contribs
     13:43  Talk:Toolchains‎‎ 3 changes history +382 [Vaspmaster‎ (3×)]
     
13:43 (cur | prev) +181 Vaspmaster talk contribs
     
10:28 (cur | prev) +219 Vaspmaster talk contribs
     
08:32 (cur | prev) −18 Vaspmaster talk contribs
     13:32  NBLOCK diffhist −53 Singraber talk contribs
     09:28  ML MB MIN diffhist −158 Singraber talk contribs
     08:49  EMIN diffhist 0 Wolloch talk contribs

19 March 2024

     16:59  Talk:Toolchains‎‎ 5 changes history +781 [Vaspmaster‎ (5×)]
     
16:59 (cur | prev) +16 Vaspmaster talk contribs
     
16:55 (cur | prev) +228 Vaspmaster talk contribs
     
16:50 (cur | prev) +180 Vaspmaster talk contribs
     
16:32 (cur | prev) +17 Vaspmaster talk contribs
     
16:31 (cur | prev) +340 Vaspmaster talk contribs
     16:27  Known issues diffhist 0 Vaspmaster talk contribs
     14:36 Move log Huebsch talk contribs moved page Construction:ML MB MIN to ML MB MIN without leaving a redirect ‎
     14:01  LIBMBD METHOD diffhist 0 Ftran talk contribs
     14:01  Nonlocal vdW-DF functionals diffhist 0 Ftran talk contribs