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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Cite UNEX as
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Recent activity
UNEX 1.6
2019-11-12: Implemented calculation of Durbin-Watson statistics for delta sM 2019-11-11: Create core dumps in testing 2019-11-08: New test for RDFs with very large distances 2019-11-06: Better documentation for prunning of points on RDFs 2019-11-05: IntPlot: fixed reading of data for explicit curves 2019-11-04: Implemented SMS=ADDGNOISE 2019-11-04: Implemented SMS=COPYMODEL 2019-11-04: More consistent logic for sM(s) stdevs to calc RDFs 2019-11-03: Adjusted code style 2019-11-02: Implemented RdfPrintEsdIterval keyword
UNEX 2.0
2019-11-14: Provide list of files in archives 2019-11-14: Add OpenMPI3 and MPICH3 versions of UMW to build system 2019-11-14: Created OpenMPI3 and MPICH3 versions of UMW for Linux 2019-11-12: Disable small sleep before log cleanup 2019-11-11: Consistent file names in build system 2019-11-11: Print process ids in start banner 2019-11-11: Uptest: collect and upload core dumps 2019-11-09: Added info on checking available glibc version 2019-11-09: Added script for checking required GLIBC version 2019-11-09: Set minimal macOS version
Gallery
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.