Uploads by Fdp18
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 12:29, 26 May 2021 | BMIMTFSI.zip (file) |  |
2.48 MB | BMIMTFSI example, PLUMED special version / hack-the-tree branch. | 1 |
| 11:29, 26 May 2021 | BMIMOTf.zip (file) | |
1.92 MB | BMIMOTf lammps example with plumed | 1 |
| 09:48, 26 May 2021 | Simple example.zip (file) | |
5 KB | single TFSI anion for lammps and also plumed | 1 |
| 08:36, 13 December 2019 | AngleKit3.zip (file) | |
7 KB | 1 | |
| 08:35, 13 December 2019 | AngleKit2.zip (file) | |
7 KB | 3 | |
| 16:07, 6 March 2019 | AngleKit.zip (file) | |
6 KB | didn't work somehow... trying again | 3 |
| 15:58, 6 March 2019 | Makexyz.sh (file) | |
699 bytes | 2 | |
| 19:18, 4 March 2019 | Artefakt.png (file) |  |
68 KB | Artefacts produced by gaussian's scan utility | 1 |
| 16:16, 4 March 2019 | FSI Energy.png (file) |  |
53 KB | 1 | |
| 15:50, 18 February 2019 | Orient.f90 (file) | |
3 KB | Pre-orienting molecules | 1 |
| 15:43, 18 February 2019 | FANCY.pbs (file) | |
1 KB | pbs script for array jobs. | 1 |
| 14:53, 18 February 2019 | FieldKit.zip (file) | |
3 KB | Revised Version of the Field kit | 2 |
| 20:39, 12 February 2019 | MeO wocartesian.zip (file) | |
306 KB | 1 | |
| 20:08, 12 February 2019 | G16MeOwithcartesian.zip (file) | |
778 KB | package of log files produced with gaussian 16 for different values of overlay 1/28 | 1 |
| 20:08, 12 February 2019 | G09MeOwithcartesian.zip (file) | |
844 KB | package of log files produced with gaussian 09 for different values of overlay 1/28 | 1 |
| 10:57, 12 February 2019 | Element Table.txt (file) |  |
153 bytes | 1 | |
| 09:56, 12 February 2019 | Energies.txt (file) | |
225 bytes | 1 | |
| 09:52, 12 February 2019 | FORTRANLOG.txt (file) | |
328 bytes | not a txt file. | 1 |
| 09:45, 12 February 2019 | TFSI cis.xyz (file) | |
990 bytes | 1 | |
| 17:26, 9 February 2019 | N2LUMO.png (file) |  |
200 KB | 1 | |
| 16:00, 9 February 2019 | Final Report 2548383.pdf (file) |  |
3.21 MB | Final report for Applied Molecular Modelling from Frederik Philippi | 1 |
| 15:34, 9 February 2019 | Screenshot 2019-02-09 15.33.15.png (file) |  |
19 KB | Nitrogen vibs | 1 |
| 15:30, 9 February 2019 | Screenshot 2019-02-09 15.28.40.png (file) |  |
19 KB | HYDROGEN display vibs | 1 |
| 15:28, 9 February 2019 | FPhilippi H2 opt freq.log (file) | |
54 KB | Hydrogen log file | 1 |
| 15:28, 9 February 2019 | FPhilippi N2 opt freq.log (file) | |
57 KB | Nitrogen log file | 1 |
| 14:23, 9 February 2019 | Screenshot 2019-02-09 14.21.49.png (file) |  |
23 KB | Display Vibrations for NH3 | 1 |
| 14:16, 9 February 2019 | FPhilippi NH3 opt freq pop.log (file) | |
222 KB | logfile NH3 optimisation | 1 |
| 14:13, 9 February 2019 | FPhilippi NH3 opt freq pop.xyz (file) | |
330 bytes | xyz file | 1 |
| 19:33, 6 February 2019 | TFSM trans.xyz (file) | |
884 bytes | 1 | |
| 19:33, 6 February 2019 | TFSM cis.xyz (file) | |
884 bytes | 2 |
