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Finalises patch 1 for v1.0
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Robert Shaw authored and Robert Shaw committed Oct 1, 2020
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2 changes: 1 addition & 1 deletion LICENSE
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MIT License

Copyright (c) 2017 Robert A. Shaw
Copyright (c) 2020 Robert A. Shaw

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
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14 changes: 11 additions & 3 deletions README.md
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## Libecpint 1.0.0
## Libecpint 1.0.1

[![Build Status](https://dev.azure.com/robertshaw383/libecpint/_apis/build/status/robashaw.libecpint?branchName=master)](https://dev.azure.com/robertshaw383/libecpint/_build/latest?definitionId=2&branchName=master)
[![codecov](https://codecov.io/gh/robashaw/libecpint/branch/master/graph/badge.svg)](https://codecov.io/gh/robashaw/libecpint)
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- New, high level API, with ECP library;
- Automated testing suite.

### Patch 1

- Bug fix in screening of on-ECP type 2 integrals
- Improvements in CMake build steps, thanks to nabbelbabbel/moritzBens

## Dependencies

- A modern C++ compiler, at least C++11 standard library is required. This has currently only been tested with GCC (6.3.0 and above, but will in theory work with any > 4.9) and clang (9.0.0 and above). Intel compilers have been known to cause issues.
- CMake/CTest build tools
- A modern C++ compiler, at least C++11 standard library is required. This has been tested with:
* gcc (v6.3.0 and above)
* clang (v10.0.0 and above), you may need the CXX flag "-std=c++14"
* icpc (v20.2.1), may also need the CXX flag "-std=c++14"
- CMake/CTest build tools (v3.12 and higher)
- Python (2.7 or above, including 3 and higher)

Additionally, if you wish to regenerate the radial code (see below), Python >=3.6 is required with numpy and sympy.
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