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Show new changes starting from 08:58, 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
N    
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 2 changes history −5 [Vaspmaster‎; Huebsch‎]
     
16:27 (cur | prev) 0 Vaspmaster talk contribs
     
11:06 (cur | prev) −5 Huebsch talk contribs
     14:36  (Move log) [Huebsch‎ (31×)]
     
14:36 Huebsch talk contribs moved page Construction:ML MB MIN to ML MB MIN without leaving a redirect ‎
     
13:17 Huebsch talk contribs moved page Construction:METAGGA to METAGGA without leaving a redirect ‎
     
12:59 Huebsch talk contribs moved page Construction:Wannier orbitals from VASP to Wannier orbitals from VASP without leaving a redirect ‎
     
12:49 Huebsch talk contribs moved page Construction:LKPOINTS WAN to LKPOINTS WAN without leaving a redirect ‎
     
12:48 Huebsch talk contribs moved page Construction:KPOINTS WAN to KPOINTS WAN without leaving a redirect ‎
     
12:29 Huebsch talk contribs moved page Construction:PARAM2 to PARAM2 without leaving a redirect ‎
     
12:28 Huebsch talk contribs moved page Construction:PARAM1 to PARAM1 without leaving a redirect ‎
     
12:18 Huebsch talk contribs moved page Construction:GAMMA VDW to GAMMA VDW without leaving a redirect ‎
     
12:18 Huebsch talk contribs moved page Construction:ALPHA VDW to ALPHA VDW without leaving a redirect ‎
     
12:16 Huebsch talk contribs moved page Construction:Nonlocal vdW-DF functionals to Nonlocal vdW-DF functionals without leaving a redirect ‎
     
11:34 Huebsch talk contribs moved page Construction:LIBMBD PARALLEL MODE to LIBMBD PARALLEL MODE without leaving a redirect ‎
     
11:33 Huebsch talk contribs moved page Construction:LIBMBD K GRID SHIFT to LIBMBD K GRID SHIFT without leaving a redirect ‎
     
11:32 Huebsch talk contribs moved page Construction:LIBMBD K GRID to LIBMBD K GRID without leaving a redirect ‎
     
11:31 Huebsch talk contribs moved page Construction:LIBMBD N OMEGA GRID to LIBMBD N OMEGA GRID without leaving a redirect ‎
     
11:31 Huebsch talk contribs moved page Construction:LIBMBD R0AU to LIBMBD R0AU without leaving a redirect ‎
     
11:30 Huebsch talk contribs moved page Construction:LIBMBD ALPHA to LIBMBD ALPHA without leaving a redirect ‎
     
11:19 Huebsch talk contribs moved page Construction:LIBMBD C6AU to LIBMBD C6AU without leaving a redirect ‎
     
11:15 Huebsch talk contribs moved page Construction:LIBMBD MBD BETA to LIBMBD MBD BETA without leaving a redirect ‎
     
11:14 Huebsch talk contribs moved page Construction:LIBMBD MBD A to LIBMBD MBD A without leaving a redirect ‎
     
11:13 Huebsch talk contribs moved page Construction:LIBMBD TS SR to LIBMBD TS SR without leaving a redirect ‎
     
11:13 Huebsch talk contribs moved page Construction:LIBMBD TS D to LIBMBD TS D without leaving a redirect ‎
     
11:12 Huebsch talk contribs moved page Construction:LIBMBD VDW PARAMS KIND to LIBMBD VDW PARAMS KIND without leaving a redirect ‎
     
11:11 Huebsch talk contribs moved page Construction:LIBMBD XC to LIBMBD XC without leaving a redirect ‎
     
11:10 Huebsch talk contribs moved page Construction:LIBMBD METHOD to LIBMBD METHOD without leaving a redirect ‎
     
11:04 Huebsch talk contribs moved page Construction:Changelog to Changelog without leaving a redirect ‎
     
10:54 Huebsch talk contribs moved page Construction:BANDGAP to BANDGAP without leaving a redirect ‎
     
10:53 Huebsch talk contribs moved page Construction:BSEELECTRON to BSEELECTRON without leaving a redirect ‎
     
10:53 Huebsch talk contribs moved page Construction:BSEHOLE to BSEHOLE without leaving a redirect ‎
     
10:52 Huebsch talk contribs moved page Construction:Plotting exciton wavefunction to Plotting exciton wavefunction without leaving a redirect ‎
     
10:50 Huebsch talk contribs moved page Construction:XC C to XC C without leaving a redirect ‎
     
10:50 Huebsch talk contribs moved page Construction:XC to XC without leaving a redirect ‎
     14:01  LIBMBD METHOD‎‎ 2 changes history −7 [Huebsch‎; Ftran‎]
     
14:01 (cur | prev) 0 Ftran talk contribs
     
11:11 (cur | prev) −7 Huebsch talk contribs
     14:01  Nonlocal vdW-DF functionals‎‎ 2 changes history −7 [Huebsch‎; Ftran‎]
     
14:01 (cur | prev) 0 Ftran talk contribs
     
12:22 (cur | prev) −7 Huebsch talk contribs
     14:00  LIBMBD XC diffhist 0 Ftran talk contribs
     14:00  LIBMBD R0AU diffhist 0 Ftran talk contribs
     14:00  LIBMBD TS SR diffhist 0 Ftran talk contribs
     13:59  LIBMBD C6AU diffhist 0 Ftran talk contribs
     13:59  LIBMBD K GRID diffhist 0 Ftran talk contribs
     13:59  LIBMBD TS D diffhist 0 Ftran talk contribs
     13:59  LIBMBD ALPHA‎‎ 2 changes history −7 [Huebsch‎; Ftran‎]
     
13:59 (cur | prev) 0 Ftran talk contribs
     
11:30 (cur | prev) −7 Huebsch talk contribs
     13:58  LIBMBD MBD BETA‎‎ 4 changes history −7 [Ftran‎; Huebsch‎ (3×)]
     
13:58 (cur | prev) 0 Ftran talk contribs
     
11:18 (cur | prev) +1 Huebsch talk contribs Tag: Manual revert
     
11:16 (cur | prev) −1 Huebsch talk contribs Tag: Reverted
     
11:15 (cur | prev) −7 Huebsch talk contribs
     13:58  LIBMBD PARALLEL MODE diffhist 0 Ftran talk contribs
     13:58  LIBMBD MBD A‎‎ 2 changes history +1 [Huebsch‎; Ftran‎]
     
13:58 (cur | prev) 0 Ftran talk contribs
     
11:18 (cur | prev) +1 Huebsch talk contribs
     13:57  LIBMBD K GRID SHIFT‎‎ 2 changes history −7 [Huebsch‎; Ftran‎]
     
13:57 (cur | prev) 0 Ftran talk contribs
     
11:33 (cur | prev) −7 Huebsch talk contribs
     13:57  LIBMBD VDW PARAMS KIND diffhist 0 Ftran talk contribs
     13:57  LIBMBD N OMEGA GRID‎‎ 2 changes history −7 [Huebsch‎; Ftran‎]
     
13:57 (cur | prev) 0 Ftran talk contribs
     
11:32 (cur | prev) −7 Huebsch talk contribs Tag: Visual edit: Switched
     13:34  Precompiler options‎‎ 2 changes history +251 [Huebsch‎; Ftran‎]
     
13:34 (cur | prev) 0 Ftran talk contribs
     
12:13 (cur | prev) +251 Huebsch talk contribs (→‎-DDFTD4)
     13:21  The VASP Manual diffhist −9 Huebsch talk contribs
     13:19  METAGGA‎‎ 2 changes history +17 [Huebsch‎ (2×)]
     
13:19 (cur | prev) +17 Huebsch talk contribs
     
13:17 (cur | prev) 0 Huebsch talk contribs
     13:17  (Deletion log) [Huebsch‎ (6×)]
     
13:17 Huebsch talk contribs deleted page METAGGA(Deleted to make way for move from "Construction:METAGGA")
     
12:29 Huebsch talk contribs deleted page PARAM2(Deleted to make way for move from "Construction:PARAM2")
     
12:28 Huebsch talk contribs deleted page PARAM1(Deleted to make way for move from "Construction:PARAM1")
     
12:16 Huebsch talk contribs deleted page Nonlocal vdW-DF functionals(Deleted to make way for move from "Construction:Nonlocal vdW-DF functionals")
     
12:12 Huebsch talk contribs deleted page Construction:Precompiler options(content was: "Precompiler flags are used to activate/deactivate certain code features at the time of compilation, e.g., the use of MPI, the advanced molecular dynamics features, etc. Many precompiler flags are set by default in the templates provided for the makefile.include file. The commands are as follows: ;CPP :The command to invoke the precompiler yo...", and the only contributor was "Ftran" (talk))
     
12:11 Huebsch talk contribs deleted page Construction:Makefile.include(content was: "{{DISPLAYTITLE:makefile.include}} Writing a <code>makefile.include</code> file from scratch is not easy, so we suggest taking one of archetypical files that closely resembles your system as a starting point. It is necessary to customize it anyways to set appropriate paths etc. Optionally, you can enable additional features by setting precompiler flags or lin...", and the only contributor was "Ftran" (talk))
     13:17  Construction:METAGGA‎‎ 2 changes history −10 [Huebsch‎ (2×)]
     
13:17 (cur | prev) −10 Huebsch talk contribs
     
13:16 (cur | prev) 0 Huebsch talk contribs
     12:58  Construction:Wannier orbitals from VASP diffhist +37 Huebsch talk contribs
     12:48  Construction:KPOINTS WAN diffhist −7 Huebsch talk contribs
     12:36  PARAM2 diffhist +101 Huebsch talk contribs
     12:27  Construction:PARAM1 diffhist +97 Huebsch talk contribs
     12:22  GAMMA VDW diffhist +78 Huebsch talk contribs
     12:21  ALPHA VDW diffhist +26 Huebsch talk contribs
     12:18  Construction:ALPHA VDW diffhist +52 Huebsch talk contribs
     12:15  Changelog‎‎ 4 changes history +114 [Vaspmaster‎ (2×); Huebsch‎ (2×)]
     
12:15 (cur | prev) +27 Huebsch talk contribs (→‎FEATURE)
     
11:08 (cur | prev) −1 Vaspmaster talk contribs
     
11:08 (cur | prev) +94 Vaspmaster talk contribs
     
11:05 (cur | prev) −6 Huebsch talk contribs
     12:11  Makefile.include diffhist +644 Huebsch talk contribs
     11:33  Construction:LIBMBD PARALLEL MODE diffhist −7 Huebsch talk contribs
     11:32  Construction:LIBMBD K GRID diffhist −7 Huebsch talk contribs
     11:31  Construction:LIBMBD R0AU diffhist −7 Huebsch talk contribs
     11:19  Construction:LIBMBD C6AU diffhist −7 Huebsch talk contribs
     11:14  Construction:LIBMBD MBD A diffhist −8 Huebsch talk contribs
     11:13  Construction:LIBMBD TS SR diffhist −7 Huebsch talk contribs
     11:12  Construction:LIBMBD TS D diffhist −7 Huebsch talk contribs
     11:12  Construction:LIBMBD VDW PARAMS KIND diffhist −7 Huebsch talk contribs
     11:11  Construction:LIBMBD XC diffhist −7 Huebsch talk contribs
N    11:05  Category:Version diffhist 0 Huebsch talk contribs (Created blank page) Tag: Visual edit: Switched
     10:59  Construction:Changelog‎‎ 2 changes history +303 [Vaspmaster‎; Huebsch‎]
     
10:59 (cur | prev) +54 Vaspmaster talk contribs
     
07:37 (cur | prev) +249 Huebsch talk contribs
     10:55  BANDGAP diffhist −19 Huebsch talk contribs
     10:51  XC diffhist −7 Huebsch talk contribs
     10:51  XC C diffhist −7 Huebsch talk contribs
     06:53  CSVR thermostat‎‎ 2 changes history +82 [Huebsch‎ (2×)]
     
06:53 (cur | prev) +6 Huebsch talk contribs
     
06:50 (cur | prev) +76 Huebsch talk contribs

14 March 2024

     20:27  BPARAM diffhist +147 Ftran talk contribs
     20:20  Template:Cite‎‎ 2 changes history −13 [Ftran‎ (2×)]
     
20:20 (cur | prev) −182 Ftran talk contribs
     
20:06 (cur | prev) +169 Ftran talk contribs
     20:17  CPARAM diffhist +26 Ftran talk contribs
     20:13  Construction:Nonlocal vdW-DF functionals‎‎ 4 changes history +278 [Ftran‎ (4×)]
     
20:13 (cur | prev) +2 Ftran talk contribs
     
20:08 (cur | prev) +1 Ftran talk contribs
     
20:07 (cur | prev) −1 Ftran talk contribs
     
20:06 (cur | prev) +276 Ftran talk contribs