All public logs

Combined display of all available logs of VASP Wiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

11:52, 7 June 2021 Karsai talk contribs deleted page ML FF LBASIS DISCARD (content was: "{{TAGDEF|ML_FF_LBASIS_DISCARD|[logical]|.FALSE.}} Description: This variable specifies whether the basis sets are thrown away when its number exceeds {{TAG|ML_FF_MB_MB}} in the machine learning force field method. ---- In the default case when {{TAG|ML_FF_LBASIS_DISCARD}}=.FALSE., if the basis set size is exceeding {{TAG|ML_FF_MB_MB}} the learning is stopped. == Related Tags an...", and the only contributor was "Karsai" (talk))
11:48, 7 June 2021 Karsai talk contribs deleted page ML FF ISOAP2 MB (content was: "{{TAGDEF|ML_FF_ISOAP2_MB|[integer]|1}} Description: This tag defines the type of the SOAP kernel for the angular descriptor in the machine learning force field method. ---- The following cases are possible: *{{TAG|ML_FF_ISOAP2_MB}}=1: The Full definition of the angular descriptor is used. *{{TAG|ML_FF_ISOAP2_MB}}=2: Diagonal approximation of the angular descriptor is used. *{{T...", and the only contributor was "Karsai" (talk))
11:48, 7 June 2021 Karsai talk contribs deleted page ML FF ISOAP1 MB (content was: "{{TAGDEF|ML_FF_ISOAP1_MB|[integer]|1}} Description: This tag defines the type of the SOAP kernel for the radial descriptor in the machine learning force field method. ---- The following cases are possible: *{{TAG|ML_FF_ISOAP1_MB}}=1: The Full definition of the radial descriptor is used. *{{TAG|ML_FF_ISOAP1_MB}}=2: Diagonal approximation of the radial descriptor is used. *{{TAG...", and the only contributor was "Karsai" (talk))
11:45, 7 June 2021 Karsai talk contribs deleted page ML FF IERR (content was: "{{TAGDEF|ML_FF_IERR|[integer]|3}} Description: This tag selects the error estimation method used in the machine learning force field method. ---- The error estimation in the machine learning force field method is used when on-the-fly learning is applied to decide whether the next structure needs to be calculated from first principles (and potentially adding it to the reference s...", and the only contributor was "Karsai" (talk))
11:38, 7 June 2021 Karsai talk contribs deleted page ML FF IBROAD2 MB (content was: "{{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}} Description: This tag determines how the atomic distribution is broadened for the angular descriptor within the machine learning force field method. ---- The following cases are possible: *{{TAG|ML_FF_IBROAD2_MB}}=1: No broadening. *{{TAG|ML_FF_IBROAD2_MB}}=2: Element-independent user specified broadening (by using the tag {{TAG|ML_FF_SIO...", and the only contributor was "Karsai" (talk))
11:37, 7 June 2021 Karsai talk contribs deleted page ML FF IBROAD1 MB (content was: "{{TAGDEF|ML_FF_IBROAD1_MB|[integer]|2}} Description: This tag determines how the atomic distribution is broadened for the radial descriptor within the machine learning force field method. ---- The following cases are possible: *{{TAG|ML_FF_IBROAD1_MB}}=1: No broadening. *{{TAG|ML_FF_IBROAD1_MB}}=2: Element-independent user specified broadening (by using the tag {{TAG|ML_FF_SION...", and the only contributor was "Karsai" (talk))
11:10, 7 June 2021 Huebsch talk contribs moved page Machine learning force field calculations: Intermediate to Construction:Machine learning force field calculations: Intermediate
07:52, 7 June 2021 Karsai talk contribs deleted page ML FF CSF (content was: " {{TAGDEF|ML_FF_CSF|[real]|<math>0.02</math>}} Description: This flag sets the threshold for the spilling factor in the machine learning force field method. ---- During learning, if a newly considered structure yields a spilling factor larger than {{TAG|ML_FF_CSF}}, a first principles calculation is performed, and the corresponding structure is added to the date set of structures that are used when the force field is updated. This flag is only used if {{TAG|ML_FF_IERR}}=1 o...")
07:28, 7 June 2021 Karsai talk contribs deleted page ML FF NHYP2 MB (content was: "{{TAGDEF|ML_FF_NHYP2_MB|[inter]|4}} Description: Polynomial parameter (power) of the SOAP kernel. ---- == Related Tags and Sections == {{TAG|ML_FF_RCUT2_MB}}, {{TAG|ML_FF_SION2_MB}}, {{TAG|ML_FF_NHYP1_MB}} {{sc|ML_FF_NHYP2_MB|Examples|Examples that use this tag}} ---- Category:INCAR Category:Machine Learning Category:Machine Learned Force Fields Category: Alpha", and the only contributor was "Karsai" (talk))
06:40, 27 April 2021 Kresse talk contribs created page HFALPHA (Created page with "{{TAGDEF|HFALPHA|[real]|-1}} Description: {{TAG|HFALPHA}} specifies how the Coulomb kernel is approximated at G=0 when the Fock energy and the exchange potential are evaluate...")
08:34, 16 April 2021 Kresse talk contribs created page ML FF XMIX (Created page with "{{TAGDEF|ML_FF_XMIX|[integer]|0.5}} Description: The parameter determines how the threshold ({{TAG|ML_FF_CTIFOR}}) is updated in the machine learning force field methods. -...")
06:49, 29 March 2021 Huebsch talk contribs created page Construction:My theory review (Created page with "Give a short introduction stating the motivation and general concepts inherent to the presented theory. Then, summarize the content of the article briefly. ==First section==...")
03:54, 29 March 2021 Huebsch talk contribs uploaded a new version of File:Color palette.png
13:04, 26 March 2021 Miranda.henrique talk contribs created page Construction:Diffcult to converge systems (Created page with "There can be many reasons why the SCF convergence is not reached. Naturally, there are also many different possible solutions. Try to create a minimal INCAR file with as...")
11:41, 26 March 2021 Schlipf talk contribs created page Construction talk:Wiki style guide (Created page with "== Spelling == * I would prefer PAWs over PAW's. * I'm not so sure about {{VASP}} in small caps. Using a template is a good idea, though. == Footnotes, links and references...")
14:23, 25 March 2021 Huebsch talk contribs moved page Construction:Tag documentation template to Construction:MYTAG
14:19, 25 March 2021 Huebsch talk contribs created page Construction:Tag documentation template (Created page with "{{TAGDEF|MYTAG|-1 {{!}} 0 {{!}} 1}} {{DEF|MYTAG|0|for VASP.X.X and older|1|else (if {{TAG|MYTAG}} is not set)}} Description: {{TAG|MYTAG}} sets/selects ... '''Mind''': Pay a...")
10:03, 24 March 2021 Huebsch talk contribs moved page Construction:Wiki Style Guide to Construction:Wiki style guide
16:38, 23 March 2021 Huebsch talk contribs created page Template:VASP (Created page with "<font style="font-variant: small-caps">vasp</font>")
15:42, 23 March 2021 Huebsch talk contribs created page Template:Citation needed (Created page with "<sup>''https://en.wikipedia.org/wiki/Template:Citation_needed citation needed''</sup>")
13:38, 23 March 2021 Huebsch talk contribs created page File:Color palette.png (Color palette used for VASP related material.)
13:38, 23 March 2021 Huebsch talk contribs uploaded File:Color palette.png (Color palette used for VASP related material.)
10:47, 18 March 2021 Huebsch talk contribs moved page Construction:Style-guide to Construction:Wiki Style Guide
14:40, 15 March 2021 Huebsch talk contribs created page Construction:TODO (Created page with "Feel free to add to do's related to the VASP Wiki and the workshop to the corresponding section.")
13:42, 15 March 2021 User account Singraber talk contribs was created by Vaspmaster talk contribs
13:42, 2 March 2021 User account Huebsch talk contribs was created by Vaspmaster talk contribs
21:13, 17 February 2021 Miranda.henrique talk contribs created page NUM WANN (Created page with "{{TAGDEF|NUM_WANN|[integer]|{{TAG|NBANDS}}}} Description: Since vasp 6.2.0 {{TAG|NUM_WANN}} determines the number of Wannier orbitals to be used with wannier90. ----") Tag: Visual edit: Switched
14:52, 15 February 2021 Miranda.henrique talk contribs created page Talk:Dipole corrections for defects in solids (Created page with "This page should be updated and cleaned up. We should create separate subsections for the different types of issues and their solutions. Users have trouble finding their way...")
12:53, 12 February 2021 Vaspmaster talk contribs deleted page Installing VASP (Superfluous)
14:08, 11 February 2021 Vaspmaster talk contribs created page Talk:Hybrid MPI/OpenMP parallelization (Created page with " Category:VASP Category:Installation")
14:07, 11 February 2021 Vaspmaster talk contribs moved page Hybrid openMPI/openMP parallelization to Hybrid MPI/OpenMP parallelization without leaving a redirect (Does not concern "OpenMPI" only)
17:19, 10 February 2021 Vaspmaster talk contribs created page Makefile.include nv acc+omp+mkl (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")
16:25, 9 February 2021 Karsai talk contribs created page Available PAW potentials (Created page with "PAW potentials for all elements in the periodic table are available. With the exception of the 1st row elements, all PAW potentials were generated to work reliably and accurat...")
16:19, 9 February 2021 Karsai talk contribs created page Category talk:PAW (Created page with "== How to == *Major control tags for PAW: {{TAG|PAW control tags}}.")
07:27, 5 February 2021 Miranda.henrique talk contribs deleted page Template:! (content was: "|")
16:51, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:prb:11 (This is a dead page)
16:51, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:prl:15 (This is a dead page)
16:50, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:natm:16 (This is a dead page)
16:50, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:jcp:13 (This is a dead page)
16:46, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:jcp:12 (This is a dead page)
16:42, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:becke:jcp:06 (This is a dead page)
16:37, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:tran:prl:09 (This is a dead page)
16:37, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:zhao:jcp:06 (This is a dead page)
16:21, 4 February 2021 Miranda.henrique talk contribs moved page Style-guide to Construction:Style-guide
16:06, 4 February 2021 Miranda.henrique talk contribs moved page Draft:HDF5 support to Construction:HDF5 support without leaving a redirect
15:47, 4 February 2021 Miranda.henrique talk contribs created page Draft:HDF5 support (Created page with "Since VASP 6.2.0 we started supporting the feature of reading and writing hdf5 files. The HDF5 [https://www.hdfgroup.org/solutions/hdf5/] file is a hierarchical data file that...")
09:40, 23 January 2021 Vaspmaster talk contribs created page OpenACC GPU port of VASP (Created page with "== Requirements == === Software stack === === Hardware === == Running the OpenACC version == == Credits == == Related Tags and Sections == Installing_VASP.6.X.X|I...")
17:00, 22 January 2021 Vaspmaster talk contribs moved page GPU port of VASP to CUDA-C GPU port of VASP without leaving a redirect
18:49, 21 January 2021 Vaspmaster talk contribs created page Talk:Precompiler flags (Created page with "== Recommended == ;-DHOST=[string] :A string (20 characters max.) that describes the platform on which VASP is compiled, e.g.: -DHOST=\"LinuxIFC\" :for a Linux host using a...")
12:57, 20 January 2021 Vaspmaster talk contribs created page Makefile.include.linux nv omp (Created page with "<pre> # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxPGI\" \ -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \ -DscaLAPACK \ -DC...")