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
2020-04-08: Increase allowed time for tests 2020-04-07: Print errors for amplitudes in PRINT=TERMS 2020-04-07: Code formatting 2020-04-07: Calculate ExpErrors in W12 procedures 2020-04-07: Implemented calculation of ExpErrors in W2. 2020-04-06: Finer control with CalcFuncProportion 2020-04-03: Test/memtest updated syntax for skipping tests 2020-04-03: Skip memcheck for another too long test 2020-04-02: Added BglPrintRaw 2020-03-25: Manual updated
2020-04-03: Uptest: cleanup old zip files with docs 2020-03-26: Process changes.txt for UNEX1 in Uptest 2020-03-23: GMP updated to 6.2.0 2020-01-24: Fixed in-source starting scripts for macOS 2020-01-23: Use universal starting script in *NIX 2020-01-22: In update script for *NIX curl can be used 2020-01-18: Implemented FVector#eq_eps 2020-01-18: Docs updated 2020-01-18: Docs added 2020-01-16: Testing and documenting MPI::barrier