User contributions for Singraber

15:4315:43, 22 January 2025 diff hist +168‎ VASPml library ‎No edit summary
15:3715:37, 22 January 2025 diff hist +94‎ VASPml library ‎ →‎Build instructions
15:2315:23, 22 January 2025 diff hist +884‎ VASPml library ‎No edit summary
14:5314:53, 22 January 2025 diff hist −3,606‎ VASPml library ‎No edit summary
11:3511:35, 22 January 2025 diff hist +44‎ ML LIB ‎No edit summary
11:2811:28, 22 January 2025 diff hist +680‎ N ML LIB ‎ Created page with "{{DISPLAYTITLE:ML_LIB}} {{TAGDEF|ML_LIB|[logical]}} {{DEF|ML_LIB|.TRUE.|if compiled with VASPml library |.FALSE.|else}} Description: {{TAG|ML_LIB}} enables/disables the use of the VASPml C++ library for machine-learning features. {{Available|6.5.0}} ---- ==First section== == Related tags and articles== {{TAG|ML_LMLFF}}, {{TAG|ML_MODE}} {{sc|ML_LIB|Examples|Examples that use this tag}} == References == <references/> ---- Contents <!-- Link to cat..."

10:0010:00, 18 October 2024 diff hist −138‎ VASPml library ‎No edit summary
09:3609:36, 18 October 2024 diff hist +68‎ Running machine-learned force fields in LAMMPS ‎No edit summary
09:3209:32, 18 October 2024 diff hist −149‎ Running machine-learned force fields in LAMMPS ‎No edit summary
09:0209:02, 18 October 2024 diff hist −6,665‎ Running machine-learned force fields in LAMMPS ‎No edit summary
09:0209:02, 18 October 2024 diff hist +6,047‎ N VASPml library ‎ Created page with "'''VASPml''' is a C++ library accompanying '''VASP''', providing functionality related to machine-learned force fields. It is supposed to extend, and eventually replace, the original Fortran machine learning code inside '''VASP'''. Currently, it does not yet offer any training capabilities but rather focuses on inference. At this point '''VASPml''' is in a beta-testing stage and provides its first application, an interface to the popular molecular dynamics (MD) software..."
07:5107:51, 18 October 2024 diff hist +831‎ Running machine-learned force fields in LAMMPS ‎No edit summary
07:0607:06, 18 October 2024 diff hist +5‎ Template:TAGBL ‎No edit summary current
07:0607:06, 18 October 2024 diff hist −1‎ Template:TAGBL ‎No edit summary
07:0307:03, 18 October 2024 diff hist +542‎ Template:TAGBL ‎No edit summary

14:2714:27, 27 March 2024 diff hist +216‎ ML OUTBLOCK ‎No edit summary current
14:2314:23, 27 March 2024 diff hist +211‎ ML OUTBLOCK ‎No edit summary
14:1814:18, 27 March 2024 diff hist 0‎ Template:Table - Output interval options ‎No edit summary
14:1614:16, 27 March 2024 diff hist +173‎ Template:Table - Output interval options ‎No edit summary
13:1713:17, 27 March 2024 diff hist +148‎ Template:Table - Output interval options ‎No edit summary
13:1113:11, 27 March 2024 diff hist +2,373‎ N Template:Table - Output interval options ‎ 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" | |- | &nbsp..."

11:0011:00, 26 February 2024 diff hist +406‎ Template:CB ‎No edit summary current