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18 December 2024
| 13:23 | Makefile.include.intel diffhist +190 Csheldon talk contribs | ||||
| 13:22 | Makefile.include.oneapi omp diffhist +157 Csheldon talk contribs | ||||
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13:21 | Makefile.include.oneapi 2 changes history +148 [Csheldon (2×)] | |||
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13:21 (cur | prev) −4 Csheldon talk contribs | ||||
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13:19 (cur | prev) +152 Csheldon talk contribs | ||||
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13:17 | Makefile.include 4 changes history +202 [Csheldon (4×)] | |||
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13:17 (cur | prev) 0 Csheldon talk contribs (→HDF5 support (strongly recommended, and mandatory for some features)) Tag: Manual revert | ||||
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13:06 (cur | prev) 0 Csheldon talk contribs (→HDF5 support (strongly recommended, and mandatory for some features)) | ||||
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13:05 (cur | prev) −1 Csheldon talk contribs (→HDF5 support (strongly recommended, and mandatory for some features)) | ||||
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13:05 (cur | prev) +203 Csheldon talk contribs (→HDF5 support (strongly recommended)) | ||||
| 13:13 | Move log Huebsch talk contribs moved page Construction:Category:Electron-phonon interactions to Category:Electron-phonon interactions without leaving a redirect | ||||
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13:13 | (Deletion log) [Huebsch; Jona (6×)] | |||
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13:13 Huebsch talk contribs deleted page Category:Electron-phonon interactions (Deleted to make way for move from "Construction:Category:Electron-phonon interactions") | ||||
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10:59 Jona talk contribs deleted page Construction:Müller-Plathe method (content was: "The thermal conductivity <math>\lambda</math> can be obtained by Fourier's law <math> \mathbf{J} = -\lambda \nabla T </math>, where <math>\mathbf{J}</math> is the heat-flux vector and <math> \nabla T=\partial T/\partial \mathbf{a}_i</math> is the temperature gradient. In reverse nonequilibrium molecular dynamics proposed by Müller-Plathe{{Cite|mueller-plathe:jcp:1997}}, a temperature gradient (<math>\partial T/\partial \mathbf{a}_i </math>) along selected lattice axis <math...") | ||||
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10:59 Jona talk contribs deleted page Construction:FMP DIRECTION (content was: "{{DISPLAYTITLE:FMP_DIRECTION}} {{TAGDEF|FMP_DIRECTION|1 {{!}} 2 {{!}} 3 | 3}} Description: Index of the lattice vector <math>\mathbf{a}_i</math> along which the temperature gradient is created in the (Müller-Plathe method). ----- {{TAG|FMP_DIRECTION}} defines the index of the lattice vector <math>\mathbf{a}_i</math> along which the gradient <math>\partial T/\partial \mathbf{a}_i </math> is created during the reverse nonequilibrium molecular-dynamics run using the Mül...") | ||||
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10:58 Jona talk contribs deleted page Construction:FMP PERIOD (content was: "{{DISPLAYTITLE:FMP_PERIOD}} {{TAGDEF|FMP_PERIOD|integer | 10}} Description: Number of time steps between two swapping events in the Müller-Plathe method. ----- This tag defines how many MD steps are done between two consecutive velocity-swapping events. The period is counted in MD steps and not in simulation time. {{NB|mind|This tag will only be available from VASP 6.4.4}} == Related tags and articles == Müller-Plathe method, {{TAG|FMP_ACTIVE}}, {{TAG|FMP_DIRECTION...") | ||||
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10:57 Jona talk contribs deleted page Construction:FMP SNUMBER (content was: "{{DISPLAYTITLE:FMP_SNUMBER}} {{TAGDEF|FMP_SNUMBER|integer | 10}} Description: Number of slabs perpendicular to the temperature gradient in the Müller-Plathe method. ----- {{TAG|FMP_SNUMBER}} defines the number of slabs perpendicular to the lattice vector <math>\mathbf{a}_i</math> along which the gradient <math>\partial T/\partial \mathbf{a}_i </math> is created during the reverse nonequilibrium molecular dynamics run using the Müller-Plathe method. {{NB|mind|This t...") | ||||
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10:57 Jona talk contribs deleted page Construction:FMP SWAPNUM (content was: "{{DISPLAYTITLE:FMP_SWAPNUM}} {{TAGDEF|FMP_SWAPNUM|integer | 1}} Description: Number of pairs that are exchanged in a single swapping event in the Müller-Plathe method. ----- {{TAG|FMP_SWAPNUM}} defines the number of pairs of particles exchanged in a single swapping event of the reverse nonequilibrium molecular dynamics run using the Müller-Plathe method. Only the particles of the same type are selected. {{NB|mind|This tag will only be available from VASP 6.4.4}} =...") | ||||
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10:56 Jona talk contribs deleted page Construction:FMP ACTIVE (content was: "{{DISPLAYTITLE:FMP_ACTIVE}} {{TAGDEF|FMP_ACTIVE|logical (aray)}} {{DEF|FMP_ACTIVE|NIONS * False|}} Description: Select which atom types in the {{FILE|POSCAR}}-file participate in swapping within the Müller-Plathe method. ----- {{TAG|FMP_ACTIVE}} specifies whether or not (.TRUE. or .FALSE., respectively) an atomic type allowed for swapping within the Müller-Plathe method. One item for each of the atomic types defined in {{FILE|POSCAR}} must be supplied. {{NB|mind|Th...") | ||||
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13:03 | METAGGA 6 changes history −42 [Ftran (6×)] | |||
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13:03 (cur | prev) 0 Ftran talk contribs | ||||
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11:26 (cur | prev) −69 Ftran talk contribs | ||||
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11:20 (cur | prev) −439 Ftran talk contribs | ||||
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11:15 (cur | prev) −3 Ftran talk contribs | ||||
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11:04 (cur | prev) +469 Ftran talk contribs | ||||
| 13:00 | GGA diffhist +522 Ftran talk contribs | ||||
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11:46 | Template:Cite 8 changes history +411 [Ftran (8×)] | |||
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11:46 (cur | prev) +4 Ftran talk contribs | ||||
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11:41 (cur | prev) −254 Ftran talk contribs | ||||
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11:29 (cur | prev) −118 Ftran talk contribs | ||||
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11:14 (cur | prev) +1 Ftran talk contribs | ||||
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11:13 (cur | prev) +336 Ftran talk contribs | ||||
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11:03 (cur | prev) +347 Ftran talk contribs | ||||
| 11:29 | KPUSE diffhist −7 Wolloch talk contribs (→Related tags and articles) | ||||
| 11:29 | EINT diffhist −7 Wolloch talk contribs (→Related tags and articles) | ||||
| 11:29 | NBMOD diffhist −7 Wolloch talk contribs (→Related tags and articles) | ||||
| 11:28 | IBAND diffhist −7 Wolloch talk contribs | ||||
| 11:28 | LPARD diffhist −14 Wolloch talk contribs | ||||
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N 11:27 | LPARDH5 2 changes history +831 [Wolloch (2×)] | |||
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11:27 (cur | prev) +37 Wolloch talk contribs | ||||
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11:23 (cur | prev) +794 Wolloch talk contribs (Created page with "{{TAGDEF|LPARDH5|[logical]|.FALSE.}} Description: Determines whether partial (band and/or '''k'''-point-decomposed) charge densities are written to {{FILE|vaspout.h5}} instead of {{FILE|PARCHG}}. {{NB|mind|This tag is only available as of VASP.6.5.0.}} ---- IF {{TAG|LPARDH5}} = .TRUE., the partial charge density from a post-processing run with {{TAG|LPARD}} = .TRUE. can be analyzed with {{py4vasp}}. E.g. for the simulation of scanning tunneling microscopy (STM) images....") | |||
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11:07 | Changelog 7 changes history +148 [Csheldon (7×)] | |||
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11:07 (cur | prev) 0 Csheldon talk contribs (→FEATURE) | ||||
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10:59 (cur | prev) +12 Csheldon talk contribs (→FEATURE) | ||||
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10:59 (cur | prev) −1 Csheldon talk contribs (→FEATURE) | ||||
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10:59 (cur | prev) +97 Csheldon talk contribs (→6.5.0) | ||||
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10:58 (cur | prev) +21 Csheldon talk contribs (→FEATURE) | ||||
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10:56 (cur | prev) +1 Csheldon talk contribs (→FEATURE) | ||||
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10:55 (cur | prev) +18 Csheldon talk contribs (→FEATURE) | ||||
| 10:54 | PLUGINS/LOCAL POTENTIAL diffhist −19 Schlipf talk contribs (→Related tags and articles) | ||||
| 10:54 | PLUGINS/FORCE AND STRESS diffhist −19 Schlipf talk contribs (→Related tags and articles) | ||||