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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Cite UNEX as
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Recent activity
UNEX 1.6
2019-08-20: Fixed a Z-matrix issue 2019-08-19: Implemented blocking for symmetrization of input ED terms 2019-08-19: Test updated 2019-08-19: Manual updated 2019-08-18: Manual updated 2019-06-20: Fixed bug with numeric second prm in Z-mat cards of type 1 2019-06-19: Manual updated 2019-05-09: Scripts adapted for FreeBSD 2019-05-09: Manual updated 2019-05-08: Added mingw32 platform
UNEX 2.0
2019-06-03: Cleanup of old sigslot code 2019-06-02: Use new sigslot mechanism 2019-05-31: New test for sigslots 2019-05-31: UKL: added a new implementation of sigslots 2019-05-30: UKL: hide internals of ukl_object_t 2019-05-29: UKL: added benchmark for object sigslots 2019-05-27: Remove debug output 2019-05-27: Fixed grammar for splat operator 2019-05-27: Settings for gcov 2019-05-26: Better MPI synchronization
Gallery
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.