UNEXTitle

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

Recent activity

UNEX 1.6

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

UNEX 2.0

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
UNEX@SomoniPeak
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.