Discussions

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  Different preconditioners for the DavidsonSolver

  lelemmen started Sep 23, 2019 in Ideas

  

  

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  v0.1.0

  lelemmen started Jun 23, 2021 in General

  

  

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  Hubbard model: SpinUnresolvedONVBasis

  dariavh started Feb 2, 2021 in Ideas

  

  

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  Mulliken partitioning for two-electron operators

  lelemmen started Nov 10, 2020 in Ideas

  

  

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  Low-level CI improvements

  lelemmen started Oct 30, 2020 in Ideas

  

  

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  Frozen core CI

  lelemmen started Dec 10, 2020 in Ideas

  

  

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  Singularity and Victini

  lelemmen asked Dec 11, 2020 in Q&A · Answered

  

  

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  VSC_SCRATCH in a Singularity container

  lelemmen asked Dec 11, 2020 in Q&A · Answered

  

  

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  New user? Say hi!

  lelemmen started Dec 11, 2020 in General

  

  

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  'Constrained' variables

  lelemmen started Aug 19, 2019 in Ideas

  

  

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  Non-orthogonal CI

  lelemmen started Nov 19, 2018 in Ideas

  

  

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  Orbital optimization through simulated annealing

  lelemmen started Oct 19, 2018 in Ideas

  

  

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  APSG

  lelemmen started Nov 27, 2020 in Ideas

  

  

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  Refactor QCModel::R/U/GHF

  xdvriend started Nov 20, 2020 in Ideas

  

  

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  ASCII-representation of ONVPath

  lelemmen started Oct 29, 2020 in Ideas

  

  

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  APG

  lelemmen started Sep 27, 2019 in Ideas

  

  

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  Solving the DHF equations

  lelemmen started Aug 13, 2019 in Ideas

  

  

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  CI singles and doubles

  lelemmen started Oct 29, 2020 in Ideas

  

  

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  CI doubles

  lelemmen started Oct 29, 2020 in Ideas

  

  

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  Improved Python bindings for templated classes

  lelemmen started Sep 24, 2020 in Ideas

  

  

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  Python and C++ style guide

  xdvriend started Aug 21, 2020 in Ideas

  

  

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  Expressing operators with respect to their spin symmetry

  lelemmen started Mar 12, 2020 in Ideas

  

  

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  Linters for uniform code style

  lelemmen started Mar 3, 2020 in Ideas

  

  

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  Complex pCCD/AP1roG

  lelemmen started Mar 3, 2020 in Ideas

  

  

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  Continuous integration of benchmarks

  lelemmen started Feb 19, 2020 in Ideas

  

  

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