UNEXTitle

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

Recent activity

UNEX 1.6

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

UNEX 2.0

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
UNEX@SomoniPeak
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.