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Release notes

Version 1.4.0 -- 2019-03-09

Notable differences from version 1.3.4.

Added

Test coverage analysis at https://codecov.io/gh/diffpy/libdiffpy.
Make scons scripts compatible with Python 3 and Python 2.
Atomic numbers and possible ions for elements 99-103.
Define libdiffpy version requirements for client Anaconda packages.
Support free-standing attribute getter and setter functions.
uisowidth and bisowidth attributes to ConstantPeakWidth class. This simplifies PDF modeling of structures with uniform isotropic atom displacements.

Changed

Build Anaconda package with Anaconda C++ compiler.
Adopt language standard c++11.
Replaced boost unordered set and map types with their STL version.
Switch to direct serialization of PeakWidthModel, PeakProfile, PDFEnvelope, PDFBaseline, and ScatteringFactorTable classes and derived types.

Deprecated

StructureAdapter::customPQConfig function because it permits unexpected changes in calculators setup and complicates parallel evaluation.

Removed

Virtual class inheritance of BaseDebyeSum and DebyePDFCalculator.

Fixed

Incorrect results for crystals with off-origin inversion center.
Incomplete scons install when shared library fails to compile.
Use of invalid iterators when removing map items.