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

2020-11-08:  Calculate and print R-factors for M(s), in addition to sM(s)
2020-09-21:  Code cleanups
2020-09-14:  Mark initial functional values in MINIMIZE output explicitly
2020-09-14:  Added keywords LsqLamDecFac and LsqLamIncFac
2020-09-13:  Added keyword SVDMaxIter
2020-07-05:  Code cleanup in SEARCH
2020-07-05:  Group numbers for sM scale factors must be defined explicitly
2020-07-03:  Fixed division-by-zero in calculation of correlations in MINIMIZE
2020-06-17:  Better formatting of W2 and W12 tables after LSQ minimization
2020-06-17:  Force flushing output of PRINT commands

UNEX 2.0

2020-11-24:  Image: initial implementation of gray32fp
2020-11-24:  Image: started implementation of gray32fp TIFFs
2020-09-21:  Code cleanups
2020-09-21:  FMatrix reimplemented for using new UML primitives
2020-08-22:  edint and edpattern modules adapted for using new UNEX vectors
2020-08-22:  GLSFunc module moved to new UML primitives
2020-08-22:  Set Vector as superclass for IVector
2020-08-21:  Vector: implemented vector-scalar subtraction
2020-08-21:  UML: implemented uml_vs_sub()
2020-08-21:  Vector: implemented scalar-vector addition
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.