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18 December 2024
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10:45 | PLUGINS/OCCUPANCIES 2 changes history −245 [Svijay (2×)] | |||
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10:45 (cur | prev) +3 Svijay talk contribs (→Related tags and articles) | ||||
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10:44 (cur | prev) −248 Svijay talk contribs (→Related tags and articles) | ||||
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10:44 | Changelog 12 changes history +792 [Csheldon (12×)] | |||
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10:44 (cur | prev) +167 Csheldon talk contribs (→FEATURE) | ||||
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10:43 (cur | prev) +27 Csheldon talk contribs (→IMPROVEMENT) | ||||
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10:42 (cur | prev) +1 Csheldon talk contribs (→IMPROVEMENT) | ||||
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10:38 (cur | prev) +36 Csheldon talk contribs (→IMPROVEMENT) | ||||
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10:36 (cur | prev) +12 Csheldon talk contribs (→IMPROVEMENT) | ||||
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10:22 (cur | prev) +10 Csheldon talk contribs (→IMPROVEMENT) | ||||
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10:04 (cur | prev) +58 Csheldon talk contribs (→IMPROVEMENT) | ||||
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09:59 (cur | prev) +86 Csheldon talk contribs (→BUGFIX) | ||||
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09:58 (cur | prev) +406 Csheldon talk contribs | ||||
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10:43 | METAGGA 2 changes history +567 [Ftran (2×)] | |||
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10:43 (cur | prev) +404 Ftran talk contribs | ||||
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10:16 (cur | prev) +163 Ftran talk contribs | ||||
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10:43 | PLUGINS/FORCE AND STRESS 8 changes history +274 [Svijay (2×); Schlipf (6×)] | |||
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10:43 (cur | prev) −5 Svijay talk contribs (→Related tags and articles) | ||||
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10:42 (cur | prev) +49 Svijay talk contribs | ||||
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10:34 (cur | prev) +2 Schlipf talk contribs (→Related tags and articles) | ||||
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10:34 (cur | prev) −136 Schlipf talk contribs (→Modifying quantities) | ||||
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10:31 (cur | prev) +73 Schlipf talk contribs | ||||
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10:30 (cur | prev) +201 Schlipf talk contribs (→Modifying quantities) | ||||
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10:23 (cur | prev) +1 Schlipf talk contribs (→Expected inputs) | ||||
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10:22 (cur | prev) +89 Schlipf talk contribs (→Expected inputs) | ||||
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10:41 | (Move log) [Tal; Schlipf; Svijay (2×)] | |||
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10:41 Svijay talk contribs moved page Construction:PLUGINS/OCCUPANCIES to PLUGINS/OCCUPANCIES | ||||
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10:35 Svijay talk contribs moved page Construction:Charged systems with density functional theory to Charged systems with density functional theory | ||||
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09:53 Schlipf talk contribs moved page Construction:PLUGINS/FORCE AND STRESS to PLUGINS/FORCE AND STRESS | ||||
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09:53 Tal talk contribs moved page Construction:NBSEBLOCKO to NBSEBLOCKO | ||||
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10:41 | Construction:PLUGINS/OCCUPANCIES 4 changes history +176 [Svijay (4×)] | |||
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10:41 (cur | prev) 0 Svijay talk contribs (→Related tags and articles) | ||||
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10:40 (cur | prev) −5 Svijay talk contribs (→Related tags and articles) | ||||
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10:40 (cur | prev) +57 Svijay talk contribs | ||||
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10:38 (cur | prev) +124 Svijay talk contribs | ||||
| 10:35 | Construction:Charged systems with density functional theory diffhist +8 Svijay talk contribs (→Related tags and articles) | ||||
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10:27 | IBSE 6 changes history +188 [Tal (6×)] | |||
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10:27 (cur | prev) +4 Tal talk contribs | ||||
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10:26 (cur | prev) +37 Tal talk contribs | ||||
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10:23 (cur | prev) −2 Tal talk contribs | ||||
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10:21 (cur | prev) +133 Tal talk contribs | ||||
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10:18 (cur | prev) +16 Tal talk contribs | ||||
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10:17 (cur | prev) 0 Tal talk contribs | ||||
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10:25 | Template:Cite 2 changes history +590 [Ftran (2×)] | |||
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10:25 (cur | prev) +276 Ftran talk contribs | ||||
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10:01 (cur | prev) +314 Ftran talk contribs | ||||
| N 10:18 | FMP DIRECTION diffhist +789 Jona talk contribs (Created page with "{{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...") | ||||
| N 10:17 | FMP PERIOD diffhist +613 Jona talk contribs (Created page with "{{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_DI...") | ||||
| N 10:16 | Müller-Plathe method diffhist +400,480 Jona talk contribs (Created page with "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 axi...") | ||||
| N 10:14 | FMP SNUMBER diffhist +754 Jona talk contribs (Created page with "{{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...") | ||||
| N 10:13 | FMP SWAPNUM diffhist +709 Jona talk contribs (Created page with "{{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....") | ||||
| N 10:12 | FMP ACTIVE diffhist +760 Jona talk contribs (Created page with "{{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|...") | ||||
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09:59 | Best practices for machine-learned force fields 3 changes history −131 [Karsai (3×)] | |||
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09:59 (cur | prev) −2 Karsai talk contribs | ||||
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09:58 (cur | prev) +1 Karsai talk contribs (→Descriptor reduction in production runs) | ||||
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09:57 (cur | prev) −130 Karsai talk contribs (→Descriptor reduction in production runs) | ||||