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<codeline><highlight class="normal">##<sp/>Libecpint<sp/>1.0.2</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">[![Build<sp/>Status](https://dev.azure.com/robertshaw383/libecpint/_apis/build/status/robashaw.libecpint?branchName=master)](https://dev.azure.com/robertshaw383/libecpint/_build/latest?definitionId=2&amp;branchName=master)</highlight></codeline>
<codeline><highlight class="normal">[![codecov](https://codecov.io/gh/robashaw/libecpint/branch/master/graph/badge.svg)](https://codecov.io/gh/robashaw/libecpint)</highlight></codeline>
<codeline><highlight class="normal">[![Documentation<sp/>Status](https://readthedocs.org/projects/libecpint/badge/?version=latest)](https://libecpint.readthedocs.io/en/latest/index.html)</highlight></codeline>
<codeline><highlight class="normal">[![Code<sp/>Quality](https://www.code-inspector.com/project/15206/status/svg)]()</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">Libecpint<sp/>is<sp/>a<sp/>C++<sp/>library<sp/>for<sp/>the<sp/>efficient<sp/>evaluation<sp/>of<sp/>integrals<sp/>over<sp/>ab<sp/>initio<sp/>effective<sp/>core<sp/>potentials,<sp/>using<sp/>a<sp/>mixture<sp/>of<sp/>generated,<sp/>recursive<sp/>code<sp/>and<sp/>Gauss-Chebyshev<sp/>quadrature.<sp/>It<sp/>is<sp/>designed<sp/>to<sp/>be<sp/>standalone<sp/>and<sp/>generic,<sp/>and<sp/>is<sp/>now<sp/>in<sp/>its<sp/>first<sp/>stable<sp/>release.<sp/>If<sp/>you<sp/>experience<sp/>any<sp/>problems<sp/>please<sp/>raise<sp/>an<sp/>issue<sp/>here;<sp/>contributions<sp/>and<sp/>suggestions<sp/>are<sp/>also<sp/>welcome.</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">##<sp/>New<sp/>in<sp/>first<sp/>full<sp/>release</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">-<sp/>Analytical<sp/>1st<sp/>and<sp/>2nd<sp/>derivatives;</highlight></codeline>
<codeline><highlight class="normal">-<sp/>Integration<sp/>now<sp/>&gt;10x<sp/>faster;</highlight></codeline>
<codeline><highlight class="normal">-<sp/>New,<sp/>high<sp/>level<sp/>API,<sp/>with<sp/>ECP<sp/>library;</highlight></codeline>
<codeline><highlight class="normal">-<sp/>Automated<sp/>testing<sp/>suite.</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">###<sp/>Patch<sp/>1</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">-<sp/>Bug<sp/>fix<sp/>in<sp/>screening<sp/>of<sp/>on-ECP<sp/>type<sp/>2<sp/>integrals</highlight></codeline>
<codeline><highlight class="normal">-<sp/>Improvements<sp/>in<sp/>CMake<sp/>build<sp/>steps,<sp/>thanks<sp/>to<sp/>nabbelbabbel/moritzBens</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">###<sp/>Patch<sp/>2</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">-<sp/>Fix<sp/>for<sp/>memory<sp/>leaks<sp/>in<sp/>derivative<sp/>routines</highlight></codeline>
<codeline><highlight class="normal">-<sp/>Minor<sp/>changes<sp/>to<sp/>CMake<sp/>files</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">##<sp/>Dependencies</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">-<sp/>A<sp/>modern<sp/>C++<sp/>compiler,<sp/>at<sp/>least<sp/>C++11<sp/>standard<sp/>library<sp/>is<sp/>required.<sp/>This<sp/>has<sp/>been<sp/>tested<sp/>with:</highlight></codeline>
<codeline><highlight class="normal"><sp/><sp/>*<sp/>gcc<sp/>(v6.3.0<sp/>and<sp/>above)</highlight></codeline>
<codeline><highlight class="normal"><sp/><sp/>*<sp/>clang<sp/>(v10.0.0<sp/>and<sp/>above),<sp/>you<sp/>may<sp/>need<sp/>the<sp/>CXX<sp/>flag<sp/>&quot;-std=c++14&quot;</highlight></codeline>
<codeline><highlight class="normal"><sp/><sp/>*<sp/>icpc<sp/>(v20.2.1),<sp/>may<sp/>also<sp/>need<sp/>the<sp/>CXX<sp/>flag<sp/>&quot;-std=c++14&quot;</highlight></codeline>
<codeline><highlight class="normal">-<sp/>CMake/CTest<sp/>build<sp/>tools<sp/>(v3.12<sp/>and<sp/>higher)</highlight></codeline>
<codeline><highlight class="normal">-<sp/>Python<sp/>(2.7<sp/>or<sp/>above,<sp/>including<sp/>3<sp/>and<sp/>higher)</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">Additionally,<sp/>if<sp/>you<sp/>wish<sp/>to<sp/>regenerate<sp/>the<sp/>radial<sp/>code<sp/>(see<sp/>below),<sp/><sp/>Python<sp/>&gt;=3.6<sp/>is<sp/>required<sp/>with<sp/>numpy<sp/>and<sp/>sympy.</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">##<sp/>Documentation</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">Please<sp/>refer<sp/>to<sp/>the<sp/>main<sp/>documentation<sp/>[here](https://libecpint.readthedocs.io/en/latest/index.html).</highlight></codeline>
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<codeline><highlight class="normal">##<sp/>Acknowledging<sp/>usage</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">If<sp/>you<sp/>use<sp/>this<sp/>library<sp/>in<sp/>your<sp/>program<sp/>and<sp/>find<sp/>it<sp/>helpful,<sp/>that&apos;s<sp/>great!<sp/>Any<sp/>feedback<sp/>would<sp/>be<sp/>much<sp/>appreciated.<sp/>If<sp/>you<sp/>publish<sp/>results<sp/>using<sp/>this<sp/>library,<sp/>please<sp/>consider<sp/>citing<sp/>the<sp/>following<sp/>paper<sp/>detailing<sp/>the<sp/>implementation:</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">R.<sp/>A.<sp/>Shaw,<sp/>J.<sp/>G.<sp/>Hill,<sp/>J.<sp/>Chem.<sp/>Phys.<sp/>147,<sp/>074108<sp/>(2017);<sp/>doi:<sp/>[10.1063/1.4986887](http://dx.doi.org/10.1063/1.4986887)</highlight></codeline>
<codeline></codeline>
<codeline><highlight class="normal">A<sp/>full<sp/>bibtex<sp/>citation<sp/>can<sp/>be<sp/>found<sp/>in<sp/>CITATION<sp/>in<sp/>the<sp/>main<sp/>directory.</highlight></codeline>
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