qp2/post/index.xml

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    <title>Posts on Quantum Package</title>
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    <description>Recent content in Posts on Quantum Package</description>
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    <managingEditor>quantum.package@gmail.com</managingEditor>
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    <lastBuildDate>Tue, 05 Feb 2019 16:39:50 +0100</lastBuildDate>
    
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      <title>Full-CI calculation</title>
      <link>https://quantumpackage.github.io/qp2/post/full-ci/</link>
      <pubDate>Tue, 05 Feb 2019 16:39:50 +0100</pubDate>
      <author>quantum.package@gmail.com</author>
      <guid>https://quantumpackage.github.io/qp2/post/full-ci/</guid>
      <description>Enter in qpsh mode for auto completion  ~/your_path_to_qp/bin/qpsh   Create an EZFIO DATA BASE from .xyz  qp create_ezfio -b 6-31g hcn.xyz # output:: hcn.ezfio DATA BASE   Run a HF calculation on the EZFIO  qp run scf | tee output_file.scf.out # output:: create MO basis in the EZFIO   Freeze the 1s orbitals in the EZFIO  qp set_frozen_core   Run the CIPSI algorithm on the EZFIO  qp run fci | tee output_file.</description>
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      <title>Hartree-Fock calculation</title>
      <link>https://quantumpackage.github.io/qp2/post/hartree-fock/</link>
      <pubDate>Mon, 04 Feb 2019 16:39:50 +0100</pubDate>
      <author>quantum.package@gmail.com</author>
      <guid>https://quantumpackage.github.io/qp2/post/hartree-fock/</guid>
      <description>   Enter in qpsh mode for auto completion  ~/your_path_to_qp/bin/qpsh   Create an EZFIO DATA BASE from .xyz  qp create_ezfio -b 6-31g hcn.xyz   Run a HF calculation on the EZFIO and put the output in a file  qp run scf | tee hcn.ezfio.scf.out  </description>
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      <title>Installation</title>
      <link>https://quantumpackage.github.io/qp2/post/installation/</link>
      <pubDate>Sun, 03 Feb 2019 16:39:50 +0100</pubDate>
      <author>quantum.package@gmail.com</author>
      <guid>https://quantumpackage.github.io/qp2/post/installation/</guid>
      <description>Download the source files  git clone https://github.com/QuantumPackage/qp2.git   Install the dependencies  ./configure # tells you what to install. See in INSTALL.rst   USE AT YOUR OWN RISK, NO SUPPORT WILL BE PROVIDED  ./configure --install something   The following libraries are needed for the ocaml package
 zlib1g-dev libncurses5-dev pkg-config libgmp3-dev m4  Once the smiling cow appears, load the environment variables</description>
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