Recent changes
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8 May 2024
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N 12:56 | Construction:LWAP 2 changes history +718 [Huebsch (2×)] | |||
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12:56 (cur | prev) +4 Huebsch talk contribs | ||||
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12:33 (cur | prev) +714 Huebsch talk contribs (Created page with "{{TAGDEF|LWAP|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: Activate writing the potential for electron-phonon calculations. ---- Write the {{FILE|inwap.yaml}}, {{FILE|LOCAL-POTENTIAL.bin}}, {{FILE|PAW-OVERLAP.bin}}, {{FILE|PAW-STRENGTH.bin}}, {{FILE|QTOT.bin}} and {{FILE|PAW-Rnij.bin}} files at the end of the electronic minimization. These files are in turn read by {{FILE|phelel.hdf5}} to produce the {{FILE|phelel_params.hdf5}} file. == Related tags and articles == {{...") | |||
| 07:31 | SCSRAD diffhist −2 Huebsch talk contribs | ||||
| 07:20 | CPARAM diffhist −38 Huebsch talk contribs | ||||
| 07:19 | BPARAM diffhist −38 Huebsch talk contribs | ||||
| 07:19 | ZAB VDW diffhist −39 Huebsch talk contribs | ||||
| 07:12 | LSPIN VDW diffhist +11 Huebsch talk contribs | ||||
| 06:31 | Category:Molecular dynamics diffhist −60 Huebsch talk contribs (→How to) | ||||
| 06:30 | Thermodynamic integration with harmonic reference diffhist +51 Huebsch talk contribs | ||||
| 06:28 | Category:Ensembles diffhist +33 Huebsch talk contribs | ||||
| 06:25 | Deletion log Huebsch talk contribs deleted page Construction:Ensembles (content was: "Intro == Theory == == HowTo == == References == <references/> EnsemblesCategory:Molecular dynamics", and the only contributor was "Huebsch" (talk)) | ||||
29 April 2024
| 10:30 | VCAIMAGES diffhist +14 Jona talk contribs (mentioning the stress tensor is also averaged after 6.4.3 release) | ||||
26 April 2024
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20:25 | Template:Table - Output interval options 2 changes history +91 [Singraber; Karsai] | |||
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20:25 (cur | prev) 0 Singraber talk contribs | ||||
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07:37 (cur | prev) +91 Karsai talk contribs | ||||
| 09:16 | ML DESC TYPE diffhist +129 Karsai talk contribs | ||||
24 April 2024
19 April 2024
| 09:51 | IWAVPR diffhist +178 Wolloch talk contribs | ||||
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08:40 | Construction:Available pseudopotentials 3 changes history −11 [Wolloch (3×)] | |||
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08:40 (cur | prev) +3 Wolloch talk contribs (→Related tags and sections) | ||||
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08:39 (cur | prev) +1 Wolloch talk contribs (→Related tags and sections) | ||||
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08:39 (cur | prev) −15 Wolloch talk contribs (→Related tags and sections) | ||||
15 April 2024
| 11:57 | Construction:Müller-Plathe method diffhist +4 Wolloch talk contribs (→References) | ||||
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11:57 | (Move log) [Wolloch (5×)] | |||
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11:57 Wolloch talk contribs moved page FML SWAPNUM to Construction:FMP SWAPNUM | ||||
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11:56 Wolloch talk contribs moved page FML SNUMBER to Construction:FMP SNUMBER | ||||
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11:55 Wolloch talk contribs moved page FML PERIOD to Construction:FMP PERIOD | ||||
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11:54 Wolloch talk contribs moved page FML DIRECTION to Construction:FMP DIRECTION | ||||
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11:53 Wolloch talk contribs moved page FML ACTIVE to Construction:FMP ACTIVE | ||||
| 11:56 | FML SWAPNUM diffhist +4 Wolloch talk contribs | ||||
| 11:56 | FML SNUMBER diffhist +4 Wolloch talk contribs | ||||
| 11:55 | FML PERIOD diffhist +4 Wolloch talk contribs | ||||
| 11:54 | FML DIRECTION diffhist +4 Wolloch talk contribs | ||||
| 11:54 | Construction:FMP ACTIVE diffhist +4 Wolloch talk contribs | ||||
11 April 2024
| 08:08 | Toolchains diffhist +74 Vaspmaster talk contribs | ||||
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07:15 | Best practices for machine-learned force fields 2 changes history +5 [Karsai (2×)] | |||
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07:15 (cur | prev) +17 Karsai talk contribs (→Reduced descriptors) | ||||
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07:14 (cur | prev) −12 Karsai talk contribs (→Controlling the descriptor reduction) | ||||
10 April 2024
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19:29 | Toolchains 3 changes history −309 [Huebsch; Vaspmaster (2×)] | |||
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19:29 (cur | prev) −326 Vaspmaster talk contribs | ||||
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19:27 (cur | prev) +14 Vaspmaster talk contribs (→VASP.6.4.3) | ||||
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06:40 (cur | prev) +3 Huebsch talk contribs | ||||
| 19:20 | Known issues diffhist −26 Vaspmaster talk contribs | ||||