User contributions for Stuekero

13:4613:46, 6 November 2024 diff hist −27‎ m Infrastructure renewal ‎ replace external link with Wiki link

18:4318:43, 11 October 2024 diff hist +13‎ GROMACS ‎ Marked this version for translation
18:4318:43, 11 October 2024 diff hist −1‎ GROMACS ‎ update example
18:4218:42, 11 October 2024 diff hist −2‎ GROMACS ‎ update example job scripts
18:4018:40, 11 October 2024 diff hist +954‎ GROMACS ‎ added gromacs-plumed modules for StdEnv/2023 to the table
18:2818:28, 11 October 2024 diff hist +196‎ GROMACS ‎ add gromacs/2023.5 modules

20:2620:26, 2 August 2024 diff hist +1,555‎ GROMACS ‎ →‎Gromacs-LS: expanded section
18:4518:45, 2 August 2024 diff hist −1‎ m GROMACS ‎ →‎Gromacs-LS
18:4418:44, 2 August 2024 diff hist +1,552‎ GROMACS ‎ Add new section GROMACS-LS
18:1118:11, 2 August 2024 diff hist +222‎ GROMACS ‎ add GROMACS-2024.1-RAMD-2.1

16:1416:14, 1 August 2024 diff hist −30‎ GROMACS ‎ Improve wording of Gromacs-Colvars

14:4114:41, 24 July 2024 diff hist −227‎ MIKE ‎ use srun instead of mpirun for MIKE 2023 current
14:3914:39, 24 July 2024 diff hist +105‎ MIKE ‎ license info
14:2914:29, 24 July 2024 diff hist −108‎ MIKE ‎ improve modulefiles

14:0914:09, 14 May 2024 diff hist +39‎ GROMACS ‎ Marked this version for translation
14:0714:07, 14 May 2024 diff hist +1‎ GROMACS ‎ →‎Gromacs-SWAXS: fix table header
14:0714:07, 14 May 2024 diff hist +1,061‎ GROMACS ‎ add section for GROMACS-SWAXS

12:4912:49, 1 May 2024 diff hist +1‎ m Arrow ‎ move Category tag outside of translated area of the page
12:4812:48, 1 May 2024 diff hist −40‎ AlphaFold/fr ‎No edit summary
12:4712:47, 1 May 2024 diff hist +1‎ m AlphaFold ‎ move Category tag outside of translated area of the page current
12:4612:46, 1 May 2024 diff hist −40‎ Chapel/fr ‎No edit summary
12:4312:43, 1 May 2024 diff hist +1‎ Chapel ‎ move Category tag outside of translated area of the page

17:1517:15, 30 April 2024 diff hist +11‎ Computational chemistry ‎ add MRCC
17:1217:12, 30 April 2024 diff hist +22‎ m Arrow ‎ add Category Software
17:1117:11, 30 April 2024 diff hist +22‎ m AlphaFold ‎ add Category Software
17:1017:10, 30 April 2024 diff hist +22‎ m Chapel ‎ add Category Software
17:0717:07, 30 April 2024 diff hist +58‎ m MRCC ‎ Add to categories "Software" and "ComputationalChemistry"

15:1115:11, 23 April 2024 diff hist +167‎ GROMACS/fr ‎ add additional version to the table
15:1015:10, 23 April 2024 diff hist +207‎ Translations:GROMACS/104/fr ‎ add additional version to the table current
15:0715:07, 23 April 2024 diff hist 0‎ m GROMACS ‎No edit summary
12:4912:49, 23 April 2024 diff hist +24‎ m GROMACS ‎ add explicit StdEnv to CUDA enabled gromacs modules in StdEnv/2023
12:4812:48, 23 April 2024 diff hist +13‎ GROMACS ‎ Marked this version for translation
12:4212:42, 23 April 2024 diff hist +4‎ m GROMACS ‎No edit summary
12:4112:41, 23 April 2024 diff hist +998‎ GROMACS ‎ Colvars has been integrated into GROMACS 2024

19:1519:15, 4 April 2024 diff hist +39‎ GROMACS ‎ Marked this version for translation
19:1419:14, 4 April 2024 diff hist −2,549‎ GROMACS ‎ clean up section on using GROMACS with GPUs
19:1219:12, 4 April 2024 diff hist +581‎ GROMACS ‎ update job scripts for StdEnv/2023 gromacs/2024.1
18:2418:24, 4 April 2024 diff hist +449‎ GROMACS ‎ add gromacs/2024.1 and deprecate StdEnv/2016.4 and StdEnv/2018.3

18:0018:00, 22 March 2024 diff hist +21‎ m PyTorch ‎ forgot to "make"
17:5717:57, 22 March 2024 diff hist +46‎ m PyTorch ‎ also wrap the cmake command for StdEnv/2020 to make it more readable
17:4617:46, 22 March 2024 diff hist +1,214‎ PyTorch ‎ update use of LibTorch for StdEnv/2023

Navigation menu