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
2021-05-06: 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
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