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
2020-02-17: Introduced and documented molx 2020-02-17: Docs updated 2020-02-13: IntPlot: added options xmin and xmax 2020-02-11: Updated docs 2020-02-11: Regularization parameters are correctly ignored if needed 2020-02-06: Docs updated 2020-02-06: Fixed recalculation of scattering factors 2020-02-05: Implemented updating group numbers for r_a and amplitudes 2020-02-05: Manual updated 2020-02-04: Implemented unconditional jumps using GOTO and LABEL
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 2020-01-15: Refined testing script for Windows 2020-01-15: Finished migration to ULTW 2020-01-14: Uptest: fixed docs dir for UNEX1