Discussions

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  How to get the external plugin for QMCPACK to generate HDF5 file compatible for QMCPACK inputs?

  Aqsa-sk asked Jan 28, 2026 in Q&A · Unanswered

  

  

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  Pyscf converter to QP2

  NastaMauger asked Oct 28, 2024 in Q&A · Answered

  

  

  

  

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  Question regarding excited-state calculations on QP2

  snigswati10 asked Nov 3, 2025 in Q&A · Closed · Answered

  

  

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  Important Update: Updated AO Normalization in QP – Compatibility with QMCPACK

  scemama announced Oct 29, 2025 in Announcements

  

  

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  MO energies difference vs PySCF for triplet systems

  mmutugi asked Sep 25, 2025 in Q&A · Answered

  

  

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  Issues Installing Quantum Package Using zsh Shell

  ghost asked Jan 18, 2024 in Q&A · Closed · Answered

  

  

  

  

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  cc-pVQZ error - update: cc-pVTZ runs fine

  mmutugi asked Jun 4, 2024 in Q&A · Closed · Answered

  

  

  

  

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  Question regarding QP2 website

  NastaMauger asked Oct 23, 2024 in Q&A · Answered

  

  

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  Exporting data & Dimension mismatch in AO integrals overlap

  mmutugi asked Oct 11, 2024 in Q&A · Answered

  

  

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  How to quicken an FCI calculation

  mmutugi asked Jun 25, 2024 in Q&A · Answered

  

  

  

  

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  fci_tc_bi_ortho incorrect calculation

  kevrap121 asked Jul 15, 2024 in Q&A · Answered

  

  

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  Modifications in "mo_optimization" plugin

  eginer started Jul 16, 2024 in General

  

  

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  Welcome to QP2 Discussions!

  scemama announced May 15, 2024 in Announcements · Closed

  

  

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  My personal plugins

  scemama started May 15, 2024 in Plugin repositories

  

  

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  Compactification of Determinant Expansions via Transcorrelation

  scemama started May 15, 2024 in QP-related articles

  

  

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  QP2 singularity running in parallel (OpenMPI) on multiple nodes

  bavramidis asked Oct 17, 2023 in Q&A · Answered

  

  

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  Problems with qp run diagonalize_h

  Navihdz asked Nov 29, 2023 in Q&A · Answered

  

  

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  OpenSUSE problem

  scemama asked Apr 19, 2023 in Q&A · Answered

  

  

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