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
2020-05-26: Print warnings if restrgeom parameters have zero stdevs 2020-05-25: Print rank and nullity of LSQ design matrix 2020-05-23: Manual updated 2020-05-23: Moooooooore tests for W(1)2 factors 2020-05-23: Added tests for geom prms 2020-05-22: Reimplemented processing of trjs 2020-05-22: Reimplemented geom lists 2020-05-22: Code cleanups 2020-05-21: Started implementation of W2DIST 2020-05-21: Added notice in sources
2020-06-04: Added test for Math::Random class 2020-06-04: Implemented include() 2020-06-02: Added testing for exporting of diffptrn differences 2020-06-02: Fixed ED::calc_s() 2020-06-01: Documented Physics::ED::Pattern class 2020-06-01: Fixed building of the edpattern module 2020-05-31: More consistent terms for image sizes in image module 2020-05-30: Docs updated for ustdlib 2020-05-26: Added legal info to all public headers 2020-05-26: Updated pcre2 to 10.35, libcpuid to 0.5.0, hwloc to 2.2.0