Issues

• No multi-thread instructions in user guide

  pyscf/pyscf.github.io#157 · Filter by author jeanwsr opened on Mar 20, 2025
  1

• Check the output of docstrings for pbc modules

  pyscf/pyscf.github.io#148 · Filter by author sunqm opened on Dec 4, 2024
  

• Errors when running PCM model

  pyscf/pyscf.github.io#138 · Filter by author coldflsh opened on Oct 13, 2024
  2

• Entry to api doc

  pyscf/pyscf.github.io#137 · Filter by author jeanwsr opened on Sep 27, 2024

• dmrgscf installation instruction

  pyscf/pyscf.github.io#134 · Filter by author sunqm opened on Aug 12, 2024

• API theme

  pyscf/pyscf.github.io#120 · Filter by author fishjojo opened on Sep 27, 2023

• Reporting a vulnerability

  pyscf/pyscf.github.io#114 · Filter by author argusSecurityBot opened on Jun 10, 2023

• How can I obtain and plot the UV-VIS , IR and NMR spectrum

  pyscf/pyscf.github.io#97 · Filter by author johTin opened on Jun 23, 2022
  2

• BLAS library for AMD CPU

  pyscf/pyscf.github.io#80 · Filter by author sunqm opened on Jul 8, 2021

• Another page in pbc explaining k point post HF methods?

  pyscf/pyscf.github.io#53 · Filter by author verena-neufeld opened on Apr 3, 2021

• integral precision and thresholds

  pyscf/pyscf.github.io#49 · Filter by author gkc1000 opened on Apr 2, 2021

• Authors section in manual

  pyscf/pyscf.github.io#36 · Filter by author susilehtola opened on Mar 31, 2021

• Gallery of examples

  pyscf/pyscf.github.io#26 · Filter by author gkc1000 opened on Mar 22, 2021
  1

• R, U, G, complex

  pyscf/pyscf.github.io#25 · Filter by author gkc1000 opened on Mar 22, 2021

• Brushup of the documentation

  pyscf/pyscf.github.io#8 · Filter by author susilehtola opened on Feb 27, 2021
  1