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

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
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.