File list
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 18:24, 15 November 2021 | Multiwfn2.png (file) |  |
63 KB | Gjs21 (talk | contribs) | 1 | |
| 18:24, 15 November 2021 | Multiwfn1.png (file) |  |
156 KB | Gjs21 (talk | contribs) | 1 | |
| 02:51, 8 November 2021 | SH6 sto3g.scf.molden (file) |  |
8 KB | Jbettenc (talk | contribs) | Molden file for a Hartree-Fock calculation with a STO-3g basis function for a SH6 structure optimised with Huckel method | 1 |
| 02:45, 8 November 2021 | H6 sto3g.scf.molden (file) | |
3 KB | Jbettenc (talk | contribs) | Molden file for a Hartree-Fock calculation with a STO-3g basis set for the H6 Oh fragment | 1 |
| 02:28, 8 November 2021 | H4 sto3g.scf.molden (file) | |
2 KB | Jbettenc (talk | contribs) | Molden file for a Hartree-Fock calculation of the H4 fragment with a STO-3G basis set | 1 |
| 17:00, 7 November 2021 | H4 D4h fragment.fchk (file) | |
12 KB | Jbettenc (talk | contribs) | Gaussian formatted checkpoint file for a Huckel calculation H4 in D4h configuration | 1 |
| 12:32, 7 November 2021 | H4 Dh4 fragment.log (file) | |
11 KB | Jbettenc (talk | contribs) | Gaussian log file for a Huckel calculation on H4. | 1 |
| 13:31, 26 October 2021 | ThirdYearSimulationExpt-lammps-vm.png (file) |  |
319 KB | Gmallia (talk | contribs) | 1 | |
| 13:00, 22 July 2021 | Lorraine Wang photo.jpg (file) |  |
96 KB | Mb620 (talk | contribs) | 1 | |
| 12:56, 22 July 2021 | Zehui Duan photo.jpg (file) |  |
53 KB | Mb620 (talk | contribs) | 1 | |
| 12:53, 22 July 2021 | Margherita Buraschi photo.jpg (file) |  |
153 KB | Mb620 (talk | contribs) | 1 | |
| 11:52, 11 June 2021 | Rashid Personal Photo.jpeg (file) |  |
47 KB | Rea19 (talk | contribs) | 1 | |
| 17:19, 27 May 2021 | POT 4layers noGhost.png (file) |  |
26 KB | Mb620 (talk | contribs) | 2 | |
| 12:29, 26 May 2021 | BMIMTFSI.zip (file) | |
2.48 MB | Fdp18 (talk | contribs) | BMIMTFSI example, PLUMED special version / hack-the-tree branch. | 1 |
| 11:29, 26 May 2021 | BMIMOTf.zip (file) | |
1.92 MB | Fdp18 (talk | contribs) | BMIMOTf lammps example with plumed | 1 |
| 09:48, 26 May 2021 | Simple example.zip (file) | |
5 KB | Fdp18 (talk | contribs) | single TFSI anion for lammps and also plumed | 1 |
| 11:00, 18 April 2021 | Picture 2-Songyuan ARCHER2-.png (file) |  |
194 KB | Rea19 (talk | contribs) | 1 | |
| 10:57, 18 April 2021 | Picture 1-Songyuan ARCHER2-.png (file) |  |
195 KB | Rea19 (talk | contribs) | 2 | |
| 10:41, 18 April 2021 | Picture 2-Songyuan ARCHER2-Re2.png (file) |  |
33 KB | Rea19 (talk | contribs) | 1 | |
| 10:39, 18 April 2021 | Picture 1-Songyuan ARCHER2-Re2.png (file) |  |
11 KB | Rea19 (talk | contribs) | 1 | |
| 10:27, 18 April 2021 | Picture 2-Songyuan ARCHER2-Re.png (file) |  |
67 KB | Rea19 (talk | contribs) | 1 | |
| 10:26, 18 April 2021 | Picture 1-Songyuan ARCHER2-Re.png (file) |  |
22 KB | Rea19 (talk | contribs) | 1 | |
| 10:39, 17 January 2021 | Visibility2.jpg (file) |  |
448 KB | Rzepa (talk | contribs) | 1 | |
| 10:39, 17 January 2021 | Visibility1.jpg (file) |  |
451 KB | Rzepa (talk | contribs) | 1 | |
| 10:51, 16 January 2021 | Orcid2021b.jpg (file) |  |
434 KB | Rzepa (talk | contribs) | 1 | |
| 10:51, 16 January 2021 | Orcid2021a.jpg (file) |  |
382 KB | Rzepa (talk | contribs) | 1 | |
| 09:35, 16 January 2021 | Orcid13.jpg (file) |  |
708 KB | Rzepa (talk | contribs) | 2 | |
| 09:08, 16 January 2021 | Deposit1.jpg (file) |  |
449 KB | Rzepa (talk | contribs) | 2 | |
| 22:40, 15 January 2021 | Kpts Ag bulk.png (file) |  |
76 KB | Fcm19 (talk | contribs) | 1 | |
| 13:57, 15 January 2021 | Energy cutoff Ag bulk.png (file) |  |
76 KB | Fcm19 (talk | contribs) | Plot of Total Energy vs wave function cut-off for a Ag bulk system calculated by Felix Mildner with Quantum Espresso | 1 |
| 11:28, 11 January 2021 | H2O on Al 100.png (file) |  |
58 KB | Prestucc (talk | contribs) | Adsorption of a water molecule on a Al(100) surface in different adsorption sites. | 1 |
| 22:59, 22 November 2020 | Currrent.png (file) |  |
113 KB | Ccucinot (talk | contribs) | 1 | |
| 13:52, 21 November 2020 | Termina.png (file) |  |
162 KB | Ccucinot (talk | contribs) | Screen shot for a remote terminal | 1 |
| 19:40, 4 October 2020 | Hexadiene gauche2.log (file) | |
563 KB | Smf115 (talk | contribs) | 1 | |
| 19:10, 4 October 2020 | Hexadiene gauche6.log (file) | |
770 KB | Smf115 (talk | contribs) | 1 | |
| 19:10, 4 October 2020 | Hexadiene gauche5.log (file) | |
583 KB | Smf115 (talk | contribs) | 1 | |
| 19:09, 4 October 2020 | Hexadiene gauche4.log (file) | |
1.04 MB | Smf115 (talk | contribs) | 1 | |
| 19:09, 4 October 2020 | Hexadiene gauche3.log (file) | |
561 KB | Smf115 (talk | contribs) | 1 | |
| 19:09, 4 October 2020 | Hexadiene gauche1.log (file) | |
451 KB | Smf115 (talk | contribs) | 1 | |
| 18:39, 4 October 2020 | Hexadiene anti4.log (file) | |
660 KB | Smf115 (talk | contribs) | 1 | |
| 18:38, 4 October 2020 | Hexadiene anti3.log (file) | |
265 KB | Smf115 (talk | contribs) | 1 | |
| 18:35, 4 October 2020 | Hexadiene anti2.log (file) | |
375 KB | Smf115 (talk | contribs) | 1 | |
| 18:34, 4 October 2020 | Hexadiene anti1.log (file) | |
426 KB | Smf115 (talk | contribs) | 1 | |
| 22:17, 28 August 2020 | Hunt runscripts G16.zip (file) | |
2 KB | Jb6518 (talk | contribs) | 2 | |
| 09:19, 19 June 2020 | JB linuxb.PNG (file) |  |
13 KB | Jb6518 (talk | contribs) | 1 | |
| 09:18, 19 June 2020 | JB linuxa.PNG (file) |  |
12 KB | Jb6518 (talk | contribs) | 1 | |
| 09:17, 19 June 2020 | JB linux6.PNG (file) |  |
31 KB | Jb6518 (talk | contribs) | 1 | |
| 09:16, 19 June 2020 | JB linux5.PNG (file) |  |
8 KB | Jb6518 (talk | contribs) | 1 | |
| 09:16, 19 June 2020 | JB linux4.PNG (file) |  |
12 KB | Jb6518 (talk | contribs) | 1 | |
| 09:16, 19 June 2020 | JB linux3.PNG (file) |  |
105 KB | Jb6518 (talk | contribs) | 1 |
