What's new in HuLiS 3.3.3
Jan 6, 2016
- Now, the minimal version is never checked.
New in HuLiS 3.3.2 (Jan 6, 2016)
- In the 3.3.1 version, an error occurred at start-up if no network connection (failure in checking the required minimal version through the network)
New in HuLiS 3.3 (May 20, 2015)
- The user license has been added.
- Users preferences are kept in memory.
New in HuLiS 3.2 (Feb 11, 2015)
- In previous versions, the trust factor (tau) for HL-P was defined as the norm of the projected (HL-P) wave function while that for HL-CI was defined as the overlap between the normalized HL-CI wave function function and the Huckel wave function. Since version 3.2 the HL-P trust factor the overlap between the normalized HL-P wave function and the Huckel wave function. Tau has thus now a similar definition for both HL-CI and HL-P :
New in HuLiS 3.1.2b (Jul 10, 2014)
- The preferences windows is more user-friendly.
New in HuLiS 3.1.2a (Jun 19, 2014)
- A bug introduced in 3.1.1 (where the structures are sorted) is corrected. The preferences windows is more user-friendly (this is still on-going).
New in HuLiS 3.1.1 (May 15, 2014)
- When automatic generation, the structures are sorted according to .
New in HuLiS 3.1 (May 10, 2014)
- The background threads have been improved.
- In the preference window, you can choose the number of charge separation and it is possible to couple during lewis structure generation.
- With the downloable version, you can export the selected molecule in a SVG image format (scalable vector graphics format).
- The open-file function has been improved : it should be quickly.
- The Lewis structure generation selects only the structures that have the higher overlap.
- The alignment in the window of mesomery results has been fixed and other small display problems too.
New in HuLiS 3.0 (May 23, 2013)
- The source code and the project have been refactored.
- The Tutorial menu has been improved (avalaible in the downloable version).
New in HuLiS 2.9.2 (May 20, 2013)
- a clean up button so the molecule looks nicer.
- a compatibility with C. Landis and F. Weinhold NBO-NRT method (Natural Bond Orbital Natural Resonance Theory) as embedded in the Gaussian software.
- the capability to read xyz coordinates (.xyz files) and simple gaussian (.com) inputs (gaussian can include with NBO NRT strings)
- a significant increase of the speed for Lewis structures weight calculation (about 100 times faster for large systems)
- the possibility to user-define generic Xx atoms (number of neighbor + change the h_x and h_xy integrals)
- a better orbital drawing
- atoms symbol can be used for drawing
- the preference menu is improved (choose : circles and/or atoms representation for drawing, orbitals proportion, number of digit for energies and/or orbitals)
- extended event log for bug tracking.
- buttons + menu are a bit reshaped
- compatibility issue with firefox and Mac OS 10.6+ has been fixed
- generate all Lewis structure is now displayed by default