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
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 2021-10-08: Reg. parameters are treated as exp. data in MC 2021-10-07: REGPRM expects standard deviations, not weights!
UNEX 2.0
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 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()
Gallery
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.