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.
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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 2020-06-05: Print indices of parameters with maximal deviations for RESTRGEOM 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
2020-07-22: UML: moved to new object types 2020-07-19: UML: implemented uml_vector_zero() uml_matrix_zero() 2020-07-19: UML: implemented uml_vector_copy() 2020-07-19: UML: implemented uml_matrix_copy() 2020-07-18: UML: implemented uml_matrix_realloc() 2020-07-18: UML: implemented uml_vector_realloc() 2020-07-17: UML: implemented allocation and printing of int vectors and matrices 2020-07-17: UKL: implemented allocation and freeing of new general matrices 2020-07-16: UML: added more data types 2020-07-16: Machine-specific FP parameters are calculated both for floats and doubles