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Release v1.0.0, 2020-09-29
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@robashaw robashaw released this 29 Sep 12:37
· 57 commits to master since this release
v1.0.0
0449b47

Version: 1.0.0
Release date: 29 September 2020

This is the first stable release of the libecpint library, superseding the beta versions (0.9.0 through 0.9.3).

Features

  • autogenerated radial integration code
  • improved screening over shell blocks and shell triples
  • analytical first and second derivatives
  • high-level API with ECP library
  • over 10x faster than initial versions
  • greatly expanded tests/examples, including unit tests through GoogleTest
  • streamlined build system
  • automated testing/continuous integration
  • better documentation, using Sphinx
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