Uploads by Rf614
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 12:39, 3 April 2018 | OTRSH hpc ver V2 Mar2018.zip (file) |  |
15 KB | Script to generate OTRSH functionals | 1 |
| 15:59, 29 July 2017 | TDDFT Classes.zip (file) | |
5 KB | matlab parser for TD-DFT files from gaussian 09 | 1 |
| 15:58, 29 July 2017 | AIM sumviz parser matlab.zip (file) | |
5 KB | Matlab code to parse .sumviz files (from AIMAll) | 1 |
| 15:54, 29 July 2017 | G09 NBO Parser Matlab.zip (file) | |
10 KB | Parser for g09 NBO files, written in matlab 2014a. | 1 |
| 20:11, 27 July 2017 | Mol Class Parser Jul2017 V0pt5.zip (file) | |
124 KB | basic parser for gaussian 09 .fchk/.log/.com files | 1 |
| 16:28, 27 July 2017 | ML inpt att2.m (file) | |
7 KB | Matlab parser for *MLinpt.txt files | 1 |
| 14:10, 27 July 2017 | Plot Atomic Contribs V3.m (file) | |
11 KB | Made it so it works on both windows and mac/linux (using fullfile function for concatening file paths) | 2 |
| 13:27, 25 July 2017 | Gelius closed shell code Aug2016.zip (file) | |
617 KB | Made the matlab scripts (probably) work on Mac without any modifications | 4 |
| 13:27, 25 July 2017 | Gelius open shell code Aug2016.zip (file) | |
4 MB | Made the matlab scripts (probably) work on Mac without any modifications | 4 |
| 14:43, 3 June 2017 | OTRSH hpc ver June3rd 2017.zip (file) | |
15 KB | 1 | |
| 15:11, 2 June 2017 | Frac HF Exchange mu.png (file) |  |
165 KB | 1 | |
| 17:14, 28 September 2016 | Plotted Atomic Contribs spd1 frag0.jpg (file) |  |
34 KB | 1 | |
| 17:13, 28 September 2016 | Plotted Atomic Contribs spd0 frag1.jpg (file) |  |
30 KB | 1 | |
| 17:11, 28 September 2016 | Plotted Atomic Contribs spd1 frag1.jpg (file) |  |
29 KB | merge_spd = 1 merge_fragments = 1 | 1 |
| 19:44, 26 September 2016 | Other file DoS frag contribs.jpeg (file) |  |
67 KB | Alpha/Beta contribs to the DoS of Co(SCN)4 (1eV FWHM,30% lorenztian) | 1 |
| 19:29, 26 September 2016 | Other file DoS.jpeg (file) |  |
51 KB | Co_SCN4 Example DoS (1eV FWHM,30% lorenztian) | 1 |
| 18:05, 1 June 2016 | BMIM Cl BB saveNBOs tight B3LYP 6311plgdp gd3bj.log (file) | |
3.45 MB | Test file for NBO Matlab Code. | 1 |
| 14:42, 27 May 2016 | BMIM Cl top saveNBOs tight B3LYP 6311plgdp gd3bj.log (file) | |
3.45 MB | Conformer of BMIM Cl with full NBO analysis (used to test some code). | 1 |
| 14:37, 27 May 2016 | NBO E2 Vals Folder win.m (file) | |
15 KB | Matlab code, extracts/reformats data from a single NBO .log file. | 1 |
| 14:36, 27 May 2016 | NBO E2 Vals Folder mac.m (file) | |
15 KB | Matlab code, extracts/reformats data from a single NBO .log file. | 1 |
| 14:33, 27 May 2016 | NBO E2 Vals File.m (file) | |
18 KB | Matlab code, extracts/reformats data from a single NBO .log file. | 1 |
| 12:52, 16 February 2016 | Cl alone energy 2.log (file) | |
35 KB | 1 | |
| 12:52, 26 November 2015 | Water SMD Picture.jpg (file) |  |
21 KB | 1 |
