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

2021-05-06:  Keywords and output for ED background Q functional made consistent
2021-05-06:  (Re)implemented keywords for ED background control.
2021-05-04:  Print properties of BGL
2021-05-03:  Use new unified BGL procedure in MC
2021-05-03:  IntPlot, RdfPlot: adjusted offset for xlabel
2021-05-02:  Use unified BGL procedure in STANDARD
2021-05-02:  Use unified bgl approximation when reading bgl
2021-05-02:  Implemented anchor keyword for BGL commands
2021-05-02:  Unified internal BGL procedures
2021-05-01:  Implemented mol option for --echo cl parameter

UNEX 2.0

2021-05-06:  Improved --wrapper option for starting script in *NIX
2021-04-20:  Improved check_glibc script
2021-04-20:  Improved unex2 starting script for *NIX
2021-04-19:  Implemented Platform::mlatency()
2021-04-18:  For Platform::mbandwidth() implemented named argument singlify:
2021-04-18:  Use boolean named arguments for Platform::scimark()
2021-04-18:  Reimplemented internal definition of nil and bool objects
2021-04-18:  Update year in the legal notice
2021-04-18:  Implemented '<=>' method for Symbol class
2021-04-18:  UTHash updated to 2.3.0
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.