- #Download gaussview 6 .exe#
- #Download gaussview 6 update#
- #Download gaussview 6 manual#
- #Download gaussview 6 code#
- #Download gaussview 6 series#
The functions of the mouse buttons are described in the following table. Award from RSC Caricato: The videos can be viewed in any order. If there is more than one window open for the same model, the various different ones are referred to as views.
#Download gaussview 6 manual#
SmartSlide is a Manual Version corresponding to GaussView version July, Gaussian and GaussView are registered trademarks of Gaussian, Inc.
#Download gaussview 6 series#
We’ve organized them into series reflecting the target. This page contains descriptions and links for all of the tutorial videos we have produced. PS: There is no plan to support converting output file of electronic excitation task of ORCA, because I think it is meaningless due to the fact that Multiwfn already well supports plotting UV-Vis and ECD spectra (as well as IR and Raman) based on ORCA output file, see Section 3.13.2 of Multiwfn manual and tutorial "Simulating UV-Vis and ECD spectra using ORCA and Multiwfn" ( ).The GaussView Interface.
#Download gaussview 6 update#
You have to use such as Ultraedit to convert it to ASCII or ANSI coding, or use command like this to directly generate the file recorded in ASCII: D:\orca4\orca test.inp | out-file test.out -encoding ascii Update HistoryĢ022-Jan-8, version 1.0.9: Improving compatibility for freq taskĢ021-Sep-2, version 1.0.8: Better compatible with ORCA 5Ģ021-Jul-1, version 1.0.7: Compatible with ORCA 5Ģ019-Dec-24, version 1.0.6: Fully compatible with Recalc_Hess keywordĢ019-Dec-6, version 1.0.5: Fixed a bug that would cause an infinite loopĢ019-Oct-8, version 1.0.4: Better compatibilityĢ019-Sep-23, version 1.0.3: Output file of NumFreq task is supportedĢ019-Aug-13, version 1.0.2: Fully supported ORCA 4.2Ģ019-Aug-3, version 1.0.1: Fixed a printing problem when energy value is very largeĢ019-Jul-17, version 1.0: Initial release Note: If you are using Powershell, it should be noted that by default the file yielded in redirection manner is recorded in Unicode coding, in this case OfakeG cannot normally deal with it. If you are really unable to find the reason, please send your file to my E-mail as attachment. If you are unable to successfully using OfakeG to convert your ORCA output file, please compare your file with the example files to try to address the problem. Several example ORCA output files have been provided in the OfakeG package. The output information of thermodynamics data is also reorganized as Gaussian format. Then this fake output file can be directly loaded into GaussView, by which, you can check geometry optimization trajectory, or check geometry convergence status using "Results" - "Optimization", or check vibrational frequencies, IR intensity as well as play vibrational animation via "Results" - "Vibrations". You can also run it like "./OfakeG test.out".Īfter conversion, a new file will be generated in current folder, the filename is identical to input file, but there is a _fake suffix. OfakeG, then input path of ORCA output file, finally press ENTER button to start conversion.
![download gaussview 6 download gaussview 6](https://softsoldier.com/wp-content/uploads/2019/06/GaussView-2.jpg)
![download gaussview 6 download gaussview 6](https://img.yumpu.com/4877997/1/500x640/electronic-structure-calculations-in-gaussian-cornell-university.jpg)
For other versions, OfakeG may or may not work. In order to make GaussView also able to visualize optimization trajectory, monitor geometry convergence status as well as examine vibrational modes for ORCA, the OfakeG is developed, which can convert output file of "opt", "freq" and "opt freq" tasks of ORCA to a file in Gaussian-like format, which can be smoothly loaded and parsed by GaussView.Ĭurrent OfakeG formally supports ORCA 4.x, 5.0 and GaussView 6.0.16. GaussView is a nice visualization tool, however it only formally supports Gaussian.
#Download gaussview 6 code#
ORCA is a very powerful code for quantum chemistry study, however, currently limited programs can be used for visualizating optimization and vibration analysis task of ORCA.
#Download gaussview 6 .exe#
exe extension is executable file for Windows platform, the one without extension is executable file for Linux system. Tian Lu, OfakeG program, (accessed month day, year) Download Beijing Kein Research Center for Natural Sciences, China) Citation Latest version:1.0.9 (Release date: 2022-Jan-8) Developerĭr. OfakeG:Converting ORCA output file to Gaussian-like format