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.
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Recent activity
UNEX 1.6
2022-01-19: Improved tests for reading Stdevs for sM 2022-01-05: Print diagnostics for correlation matrix after MINIMIZE 2021-11-20: Docs updated 2021-11-15: Improved documentation 2021-11-08: Fixed handling of FP overflow in W12 calculation 2021-11-07: Fixed conversion of st. devs. for angles in REGPRMs 2021-10-28: Documented statistics weighting in MC 2021-10-28: Documented TERMSMC and other MC-related commands 2021-10-15: Added a test for D6d symmetry 2021-10-08: Better handing of stats for torsion angles in MC
UNEX 2.0
2022-01-16: Fixed detection of macOS version 2022-01-15: UKL: detect macOS Big Sur and Monterey 2022-01-13: UKL: detect Windows 11 and Server 2022 2021-12-12: Fixed crash with calling functions on non-function objects 2021-08-15: Cleanups in scripts 2021-05-22: Improved update scripts 2021-05-13: Improved testing script 2021-05-10: Cleanups in install script 2021-05-06: Improved --wrapper option for starting script in *NIX 2021-04-20: Improved check_glibc script
Gallery
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.