User contributions for Jemmyhu
Jump to navigation
Jump to search
17 July 2018
- 18:5418:54, 17 July 2018 diff hist +468 ADF No edit summary
3 May 2018
- 13:0013:00, 3 May 2018 diff hist −13 Gaussian No edit summary
- 12:5812:58, 3 May 2018 diff hist +51 Gaussian No edit summary
1 May 2018
- 17:5517:55, 1 May 2018 diff hist 0 Gaussian No edit summary
- 17:5217:52, 1 May 2018 diff hist +80 Gaussian No edit summary
23 March 2018
- 16:4716:47, 23 March 2018 diff hist +9 Gaussian No edit summary
21 March 2018
- 16:0416:04, 21 March 2018 diff hist +2 ADF No edit summary
- 16:0416:04, 21 March 2018 diff hist +55 ADF No edit summary
- 16:0316:03, 21 March 2018 diff hist +55 ADF No edit summary
23 February 2018
- 15:3915:39, 23 February 2018 diff hist +22 Computational chemistry No edit summary
2 February 2018
- 19:2719:27, 2 February 2018 diff hist +92 ADF No edit summary
21 December 2017
- 15:3115:31, 21 December 2017 diff hist −298 Gaussian No edit summary
19 December 2017
- 14:5214:52, 19 December 2017 diff hist +37 Gaussian No edit summary
30 November 2017
- 15:0315:03, 30 November 2017 diff hist −6 Gaussian No edit summary
- 15:0115:01, 30 November 2017 diff hist +302 Gaussian No edit summary
23 November 2017
- 17:1017:10, 23 November 2017 diff hist +20 VASP No edit summary
15 November 2017
- 20:1420:14, 15 November 2017 diff hist −4 VASP No edit summary
- 20:0920:09, 15 November 2017 diff hist −1,170 VASP No edit summary
18 October 2017
- 23:2123:21, 18 October 2017 diff hist +3 VASP →Example of a VASP job script
- 23:2023:20, 18 October 2017 diff hist +1,349 VASP No edit summary
12 October 2017
- 17:2417:24, 12 October 2017 diff hist −140 ADF →Examples
- 17:2317:23, 12 October 2017 diff hist +24 ADF →Multi adf or band runs within one input file
- 17:2017:20, 12 October 2017 diff hist +3 ADF →Job Submission
- 17:1817:18, 12 October 2017 diff hist +2,593 ADF →Running ADF on Graham
- 16:5416:54, 12 October 2017 diff hist +110 AMBER No edit summary
- 16:5216:52, 12 October 2017 diff hist +102 ADF →Job Submission
- 16:4916:49, 12 October 2017 diff hist +45 ORCA →Job Submission
- 16:4416:44, 12 October 2017 diff hist +28 ORCA →Job Submission
11 October 2017
- 19:1319:13, 11 October 2017 diff hist −121 ORCA →Job Submission
- 19:0219:02, 11 October 2017 diff hist 0 ORCA →ORCA on Cedar and Graham
- 19:0019:00, 11 October 2017 diff hist +2,616 N ORCA Created page with "==Introduction== ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell mole..."
18 August 2017
- 17:0717:07, 18 August 2017 diff hist −38 ADF →Running ADF on Graham
- 17:0717:07, 18 August 2017 diff hist +32 ADF →Running ADF on Graham
- 15:1315:13, 18 August 2017 diff hist −2 AMBER →Job Submission
- 15:1115:11, 18 August 2017 diff hist −35 AMBER →Job Submission
- 15:0915:09, 18 August 2017 diff hist −5 ADF →Job Submission
- 15:0815:08, 18 August 2017 diff hist +2 ADF →Examples
- 15:0615:06, 18 August 2017 diff hist 0 ADF →Running ADF on Graham
- 15:0415:04, 18 August 2017 diff hist −984 ADF No edit summary
- 14:5714:57, 18 August 2017 diff hist +3,152 N ADF Created page with "==Introduction== ADF (The Amsterdam Density Functional package) is a software for first-principles electronic structure calculations. It is particularly popular in the researc..."
- 14:5414:54, 18 August 2017 diff hist +3 AMBER →Examples
- 14:5414:54, 18 August 2017 diff hist +103 AMBER No edit summary
- 14:5314:53, 18 August 2017 diff hist 0 AMBER →Running Amber 16 on Graham
- 14:5214:52, 18 August 2017 diff hist 0 AMBER No edit summary
- 14:5114:51, 18 August 2017 diff hist +1,533 AMBER No edit summary
- 14:4414:44, 18 August 2017 diff hist +4 N AMBER Created page with "test"
1 August 2017
- 16:0616:06, 1 August 2017 diff hist −1 Gaussian No edit summary
- 13:4013:40, 1 August 2017 diff hist 0 Gaussian →Running Gaussian on Graham
31 July 2017
- 18:4018:40, 31 July 2017 diff hist −815 Gaussian →Running Gaussian on Graham
- 18:3918:39, 31 July 2017 diff hist +5,589 Gaussian →Running Gaussian