What's new in HuLiS 3.3.7
Jan 27, 2023
- The tutorial menu points to the HuLiS YouTube channel. A bug has been fixed to make HuLiS compatible again with both JDK and standard JVM.
New in HuLiS 3.3.6 (Nov 23, 2022)
- In the molecule display panel, the too large space between the epsilon symbol and the energy value of the selected molecular orbital has been removed.
New in HuLiS 3.3 (May 20, 2015)
- The user licence has been added.
- Users preferences are kept in memory.
New in HuLiS 3.2 (Feb 11, 2015)
- In previous versions, the trust factor (τ ) 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 (τ ) is the overlap between the normalized HL-P wave function and the Huckel wave function. τ has thus now a similar definition for both HL-CI and HL-P : τ =
New in HuLiS 3.1.2b (Jul 9, 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 24, 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