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v1.2.0 Stable & fully functional python version

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@phockett phockett released this 09 Nov 17:17
v1.2.0
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Updated python version, covering all functionality of original Matlab release, including MF-BLM calculation.

Main changes since v1.1.0

07/11/19 Added basic molecular structure plotter.

06/11/19 Added jobInfo and molInfo data structures, from ePS file via :py:func:epsproc.IO.headerFileParse() and :py:func:epsproc.IO.molInfoParse().
Still needs a bit of work, and may want to implement other (comp chem) libraries here.

14/10/19 Added/debugged read functions for CrossSecion segments.

27/09/19 Added read functions for EDCS segments.

17/09/19 Added read/write to/from netCDF files for Xarrays.
Use built-in methods, with work-arounds for complex number format issues.

10/09/19 Basic BLM calculation + demo iPython code implemented.

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