Main public logs
Combined display of all available logs of ChemWiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
- 12:39, 3 April 2018 Rf614 talk contribs uploaded File:OTRSH hpc ver V2 Mar2018.zip (Script to generate OTRSH functionals)
- 15:59, 29 July 2017 Rf614 talk contribs uploaded File:TDDFT Classes.zip (matlab parser for TD-DFT files from gaussian 09)
- 15:58, 29 July 2017 Rf614 talk contribs uploaded File:AIM sumviz parser matlab.zip (Matlab code to parse .sumviz files (from AIMAll))
- 15:54, 29 July 2017 Rf614 talk contribs uploaded File:G09 NBO Parser Matlab.zip (Parser for g09 NBO files, written in matlab 2014a.)
- 20:11, 27 July 2017 Rf614 talk contribs uploaded File:Mol Class Parser Jul2017 V0pt5.zip (basic parser for gaussian 09 .fchk/.log/.com files)
- 16:28, 27 July 2017 Rf614 talk contribs uploaded File:ML inpt att2.m (Matlab parser for *MLinpt.txt files)
- 14:10, 27 July 2017 Rf614 talk contribs uploaded a new version of File:Plot Atomic Contribs V3.m (Made it so it works on both windows and mac/linux (using fullfile function for concatening file paths))
- 13:27, 25 July 2017 Rf614 talk contribs uploaded a new version of File:Gelius closed shell code Aug2016.zip (Made the matlab scripts (probably) work on Mac without any modifications)
- 13:27, 25 July 2017 Rf614 talk contribs uploaded a new version of File:Gelius open shell code Aug2016.zip (Made the matlab scripts (probably) work on Mac without any modifications)
- 10:08, 25 July 2017 Rf614 talk contribs uploaded File:Plot Atomic Contribs V3.m (Matlab script used with code to generate pDoS/Valence XPS spectra)
- 15:58, 24 July 2017 Rf614 talk contribs uploaded a new version of File:Gelius open shell code Aug2016.zip (Fixed bug in code whereby the "+" notation only worked for d orbitals (d+-->d,f,g p+ just went to p+"))
- 15:58, 24 July 2017 Rf614 talk contribs uploaded a new version of File:Gelius closed shell code Aug2016.zip (Fixed bug in code whereby the "+" notation only worked for d orbitals (d+-->d,f,g p+ just went to p+"))
- 14:43, 3 June 2017 Rf614 talk contribs uploaded File:OTRSH hpc ver June3rd 2017.zip
- 15:11, 2 June 2017 Rf614 talk contribs uploaded File:Frac HF Exchange mu.png
- 17:14, 28 September 2016 Rf614 talk contribs uploaded File:Plotted Atomic Contribs spd1 frag0.jpg
- 17:13, 28 September 2016 Rf614 talk contribs uploaded File:Plotted Atomic Contribs spd0 frag1.jpg
- 17:11, 28 September 2016 Rf614 talk contribs uploaded File:Plotted Atomic Contribs spd1 frag1.jpg (merge_spd = 1 merge_fragments = 1)
- 15:15, 28 September 2016 Rf614 talk contribs uploaded a new version of File:Gelius closed shell code Aug2016.zip (Sept 2016: Fixed a bug in Format_Multiwfn_Output.py. Also uploaded the version of Plot_Atomic_Contribs that actually works (V3).)
- 15:14, 28 September 2016 Rf614 talk contribs uploaded a new version of File:Gelius open shell code Aug2016.zip (Sept 2016: Fixed a bug in Format_Multiwfn_Output.py. Also uploaded the version of Plot_Atomic_Contribs that actually works (V3).)
- 19:44, 26 September 2016 Rf614 talk contribs uploaded File:Other file DoS frag contribs.jpeg (Alpha/Beta contribs to the DoS of Co(SCN)4 (1eV FWHM,30% lorenztian))
- 19:29, 26 September 2016 Rf614 talk contribs uploaded File:Other file DoS.jpeg (Co_SCN4 Example DoS (1eV FWHM,30% lorenztian))
- 09:17, 30 August 2016 Rf614 talk contribs uploaded File:Gelius closed shell code Aug2016.zip (All files needed to calculate pDoS/XPS spectra for closed shell .fchk gaussian files.)
- 09:09, 30 August 2016 Rf614 talk contribs uploaded File:Gelius open shell code Aug2016.zip (All code required to calculate XP spectra/pDoS from a gaussian .fchk file.)
- 18:05, 1 June 2016 Rf614 talk contribs uploaded File:BMIM Cl BB saveNBOs tight B3LYP 6311plgdp gd3bj.log (Test file for NBO Matlab Code.)
- 14:42, 27 May 2016 Rf614 talk contribs uploaded File:BMIM Cl top saveNBOs tight B3LYP 6311plgdp gd3bj.log (Conformer of BMIM Cl with full NBO analysis (used to test some code).)
- 14:37, 27 May 2016 Rf614 talk contribs uploaded File:NBO E2 Vals Folder win.m (Matlab code, extracts/reformats data from a single NBO .log file.)
- 14:36, 27 May 2016 Rf614 talk contribs uploaded File:NBO E2 Vals Folder mac.m (Matlab code, extracts/reformats data from a single NBO .log file.)
- 14:33, 27 May 2016 Rf614 talk contribs uploaded File:NBO E2 Vals File.m (Matlab code, extracts/reformats data from a single NBO .log file.)
- 12:52, 16 February 2016 Rf614 talk contribs uploaded File:Cl alone energy 2.log
- 12:52, 26 November 2015 Rf614 talk contribs uploaded File:Water SMD Picture.jpg
