UNEX is a programming environment for investigation of molecular structure. We develop new and existing experimental methods and combine them to increase accuracy and precision of results. At the current stage the full support of gas electron diffraction (GED) investigations is provided, from the calibration of instruments and data reduction to the refinement of molecular structure. Additionally, rotational constants can be used solely or in combination with GED data for determination of molecular geometry.
Cite UNEX as
2021-02-27: Removed obsolete PRINT=VIBR 2021-02-27: Improved format for output tables with rotational constants 2021-02-26: More a-Units implemented 2021-02-25: Unified implementation of a-Units 2021-02-24: Keyword ImolAnhTermModel implemented instead of SMSModel 2021-01-17: RDF: print info on smin, smax, ds. 2021-01-02: Mark symmetrical bonds in mygeomstat 2021-01-02: Fixed autogeneration of bonded distances 2021-01-01: Fixed detection of symm equiv distances in mygeomstat 2020-12-31: Improved printing of mol gprm for stats
2020-12-08: Fixed ED::calc_s and reordered tests 2020-11-26: Image: create instances of current class, not necessarily Image 2020-11-26: Image: avoid low-level freeing of data 2020-11-25: EDPattern: implemented averaging of profiles for gray32fp images 2020-11-24: Image: initial implementation of gray32fp 2020-11-24: Image: started implementation of gray32fp TIFFs 2020-09-21: Code cleanups 2020-09-21: FMatrix reimplemented for using new UML primitives 2020-08-22: edint and edpattern modules adapted for using new UNEX vectors 2020-08-22: GLSFunc module moved to new UML primitives