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
2020-09-21: 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 2020-06-17: Better formatting for PRINT=TERMS
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 2020-08-21: UML: implemented uml_sv_add() 2020-08-21: Use Vector as superclass of FVector