Recent changes
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- This edit created a new page (also see list of new pages)
- m
- This is a minor edit
- b
- This edit was performed by a bot
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- The page size changed by this number of bytes
27 March 2024
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14:27 | ML OUTBLOCK 2 changes history +427 [Singraber (2×)] | |||
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14:27 (cur | prev) +216 Singraber talk contribs | ||||
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14:23 (cur | prev) +211 Singraber talk contribs |
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N 14:18 | Template:Table - Output interval options 4 changes history +2,694 [Singraber (4×)] | |||
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14:18 (cur | prev) 0 Singraber talk contribs | ||||
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14:16 (cur | prev) +173 Singraber talk contribs | ||||
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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" | |- |  ...") |
26 March 2024
13:20 | User creation log User account Csheldon talk contribs was created by Vaspmaster talk contribs |
25 March 2024
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15:52 | METAGGA 5 changes history +658 [Wolloch; Ftran (4×)] | |||
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15:52 (cur | prev) +453 Wolloch talk contribs (→POTCAR files: required information) | ||||
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13:49 (cur | prev) 0 Ftran talk contribs | ||||
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13:48 (cur | prev) +50 Ftran talk contribs | ||||
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13:39 (cur | prev) +1 Ftran talk contribs | ||||
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13:37 (cur | prev) +154 Ftran talk contribs |
24 March 2024
22 March 2024
11:47 | Known issues diffhist +5 Vaspmaster talk contribs |
10:57 | MDALGO diffhist −25 Singraber talk contribs (→{{TAG|MDALGO}}=5: Canonical sampling through velocity-rescaling (CSVR thermostat)) |
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) |
20 March 2024
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20:01 | ML OUTBLOCK 2 changes history +722 [Singraber (2×)] | |||
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20:01 (cur | prev) +101 Singraber talk contribs | ||||
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14:13 (cur | prev) +621 Singraber talk contribs |
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N 15:41 | ML DESC TYPE 2 changes history +3,960 [Singraber; Karsai] | |||
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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:...") |
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15:40 | ML OUTPUT MODE 2 changes history +482 [Singraber (2×)] | |||
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15:40 (cur | prev) +2 Singraber talk contribs | ||||
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15:30 (cur | prev) +480 Singraber talk contribs |
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14:10 | (Deletion log) [Karsai (4×)] | |||
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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)) | ||||
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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)) | ||||
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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)) | ||||
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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 |
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13:43 | Talk:Toolchains 3 changes history +382 [Vaspmaster (3×)] | |||
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13:43 (cur | prev) +181 Vaspmaster talk contribs | ||||
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10:28 (cur | prev) +219 Vaspmaster talk contribs | ||||
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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
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16:59 | Talk:Toolchains 5 changes history +781 [Vaspmaster (5×)] | |||
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16:59 (cur | prev) +16 Vaspmaster talk contribs | ||||
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16:55 (cur | prev) +228 Vaspmaster talk contribs | ||||
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16:50 (cur | prev) +180 Vaspmaster talk contribs | ||||
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16:32 (cur | prev) +17 Vaspmaster talk contribs | ||||
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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 |
14:00 | LIBMBD XC diffhist 0 Ftran talk contribs |