UNEXTitle

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

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
UNEX@SomoniPeak
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.