User contributions for Singraber
27 January 2025
- 10:2410:24, 27 January 2025 diff hist −14 VASPml library →Restrictions current
24 January 2025
- 15:3215:32, 24 January 2025 diff hist −10 VASPml library →Restrictions
- 15:0015:00, 24 January 2025 diff hist +185 Installing VASP.6.X.X No edit summary current
- 13:1913:19, 24 January 2025 diff hist +33 Machine learning force field calculations: Basics No edit summary current
- 10:4710:47, 24 January 2025 diff hist +8 ML LIB No edit summary current
- 08:3708:37, 24 January 2025 diff hist +52 Category:Machine-learned force fields →How to current
- 08:3608:36, 24 January 2025 diff hist −9 Running machine-learned force fields in LAMMPS No edit summary current
- 08:3608:36, 24 January 2025 diff hist +60 N Construction:Running machine-learned force fields in LAMMPS Singraber moved page Construction:Running machine-learned force fields in LAMMPS to Running machine-learned force fields in LAMMPS current Tag: New redirect
- 08:3608:36, 24 January 2025 diff hist 0 m Running machine-learned force fields in LAMMPS Singraber moved page Construction:Running machine-learned force fields in LAMMPS to Running machine-learned force fields in LAMMPS
- 08:3508:35, 24 January 2025 diff hist +73 N Construction:VASPML LAMMPS Interface Singraber moved page Construction:VASPML LAMMPS Interface to Construction:Running machine-learned force fields in LAMMPS current Tag: New redirect
- 08:3508:35, 24 January 2025 diff hist 0 m Running machine-learned force fields in LAMMPS Singraber moved page Construction:VASPML LAMMPS Interface to Construction:Running machine-learned force fields in LAMMPS
- 08:3508:35, 24 January 2025 diff hist −60 ML LIB No edit summary
- 08:3408:34, 24 January 2025 diff hist −167 ML LIB No edit summary
- 08:3408:34, 24 January 2025 diff hist +20 N Construction:ML LIB Singraber moved page Construction:ML LIB to ML LIB current Tag: New redirect
- 08:3408:34, 24 January 2025 diff hist 0 m ML LIB Singraber moved page Construction:ML LIB to ML LIB
- 08:3308:33, 24 January 2025 diff hist −10 VASPml library No edit summary
- 08:3308:33, 24 January 2025 diff hist −9 VASPml library →Supported features
- 08:3308:33, 24 January 2025 diff hist +28 N Construction:VASPml library Singraber moved page Construction:VASPml library to VASPml library current Tag: New redirect
- 08:3308:33, 24 January 2025 diff hist 0 m VASPml library Singraber moved page Construction:VASPml library to VASPml library
- 07:5807:58, 24 January 2025 diff hist +53 VASPml library No edit summary
- 07:5707:57, 24 January 2025 diff hist +71 Running machine-learned force fields in LAMMPS No edit summary
- 07:5507:55, 24 January 2025 diff hist +502 ML LIB No edit summary
23 January 2025
- 23:0723:07, 23 January 2025 diff hist +2,975 Running machine-learned force fields in LAMMPS No edit summary
- 20:4420:44, 23 January 2025 diff hist +789 Running machine-learned force fields in LAMMPS No edit summary
- 15:3915:39, 23 January 2025 diff hist −7 Running machine-learned force fields in LAMMPS No edit summary
- 15:3515:35, 23 January 2025 diff hist −4,087 Running machine-learned force fields in LAMMPS No edit summary
- 15:0715:07, 23 January 2025 diff hist +915 VASPml library No edit summary
- 10:1310:13, 23 January 2025 diff hist +757 VASPml library No edit summary
- 09:3609:36, 23 January 2025 diff hist +710 VASPml library No edit summary
22 January 2025
- 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..."
13 January 2025
- 15:5615:56, 13 January 2025 diff hist +182 LSORBIT No edit summary current
- 14:4714:47, 13 January 2025 diff hist +10,188 Personal computer installation No edit summary current
- 14:0514:05, 13 January 2025 diff hist +9 Personal computer installation →Building VASP 6.4.X on Debian 12
18 October 2024
- 11:5311:53, 18 October 2024 diff hist +6,332 N Construction:Installing VASP.6.X.X Created page with "As a [https://vasp.at| license holder], you can download the source code of VASP from the [https://vasp.at| VASP Portal]. If your system fulfills the requirements, you can install VASP.6.X.X by following the steps below. There is a separate guide to installing VASP.5.X.X. == Requirements == For the compilation of VASP one needs: * Compilers for Fortran (at least F2008 compliant), C, and C++. For instance,..." current
- 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