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

2021-04-11:  Adjusted refs for several ED standard tests
2021-04-10:  More stable LSQ refinement of wavelengths from ED standard data
2021-04-06:  More stable bgl with cubic splines
2021-04-06:  Implemented PRINT=RFACTOR
2021-04-05:  Added references for bgl tests
2021-04-04:  Cleanup in bgl procedures
2021-04-02:  Improved format for reports from MC
2021-03-30:  Fixed invalid memory access in SCANLAM
2021-03-29:  Implemented weighting in TRJXYZ
2021-03-29:  Implemented weighting in MC

UNEX 2.0

2021-04-19:  Implemented Platform::mlatency()
2021-04-18:  For Platform::mbandwidth() implemented named argument singlify:
2021-04-18:  Use boolean named arguments for Platform::scimark()
2021-04-18:  Reimplemented internal definition of nil and bool objects
2021-04-18:  Update year in the legal notice
2021-04-18:  Implemented '<=>' method for Symbol class
2021-04-18:  UTHash updated to 2.3.0
2021-04-18:  Implemented Platfrom::mbandwidth()
2021-04-17:  Platform::scimark() can accept two new named arguments, verbose: and singlify:
2021-04-17:  Documented starting interpreter in MPI mode
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.