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

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!
2021-10-02:  Added detection of S10 point group
2021-07-19:  Check input when reading REGPRM
2021-07-17:  Implemented local RBPSDThr setting for ED data sets.
2021-07-11:  Implemented RBPSD as criterion for BGL smoothness
2021-06-30:  Set average settings for new data sets in AVERAGE and COMBINE
2021-06-08:  Do not report RBSP if it is not calculated
2021-06-08:  Better reporting of asymmetry in ED terms

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()
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.