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Change Log
==========

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v5.0.0 (2021/05/XX)
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- Update the initialization for Forpy, such that in case of a module import error, the code has a better chance to print a clear error message.
- Fix an undefined variable in `Tools/set_npwq.f90`. Add `IMPLICIT NONE to all program units to let the compiler catch such errors in the future.
- Avoid overflow in `Wstat/wstat_memory_report.f90` in large-scale runs.
- Fix non-standard Fortran codes that do not work with NVIDIA/PGI Fortran compiler.
- Fix file mode for source files in Westpp. All files were executable before.
- Work around an input parsing issue encountered with pgfortran and nvfortran.
- Update build instructions for ALCF/Theta, NERSC/Cori, UChicago/RCC/Midway3, macOS 
- Updated documentation

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v4.2.1 (2020/10/19)
-------------------

- Added support for python 3.8 (--embed)
- Updated scripts for RCC-Midway and MacOSX
- Solved bugs in reporting conf layer in Makefile
- Updated documentation

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v4.2.0 (2020/07/03)
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-------------------

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- Introduced automatic installation of missing python packages
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- Introduced the conf layer in the Makefile to ease installation 
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- Updated manual

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v4.1.0 (2019/10/18)
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- Improved usability of client/server mode with `server_control`
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- Reduced execution time of wfreq (W) for solids
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- Added build instructions for RCC-Midway and MacOSX
- Updated build instructions for ALCF-Theta
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- Updated manual
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v4.0.0 (2019/09/30)
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- Added client/server mode
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- Added coupling to Qbox code (http://qboxcode.org)
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- Added python3 interface
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- Simplified the input format (now accepting both JSON and YAML formats)
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- Expanded documentation
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v3.1.1 (2018/09/19)
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-------------------

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- Python suite for pre- and post process WEST calculations

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v3.1.0 (2018/06/30)
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- Introduction of k-points sampling
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- Porting to Intel KNL
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- Migration of all developments to a private GitLab server, and master branch mirrored to GitHub
- Test suite and continuous integration in place to automatically test the integrity of the code at every addition
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- Expansion of documentation, and streamlining of its generation using markup language (Sphinx)


v3.0.0 (2017/07/16)
-------------------
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- Restructuring of I/O in JSON (JavaScript Object Notation) format, thus enabling seamless integration with pre-/postprocessing tools and compatibility with Jupyter electronic notebooks

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v2.0.0 (2016/10/19)
-------------------

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- Implementation of spin-orbit coupling
- Implementation of novel hybrid functionals derived from GW self-energy

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v1.1.0 (2016/05/20)
-------------------

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- Addition of postprocessing routines, forming the seed for WESTpy

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v1.0.3 (2016/01/08)
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- Efficiency improvements and bug fixes to the contour deformation technique

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v1.0.2 (2015/09/23)
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- Efficiency improvements and bug fixes to the PDEP algorithm

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v1.0.1 (2015/06/20)
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- Initial beta release of WEST: GW without empty states