Search results

Check the output of docstrings for pbc modules

Status: Open.

#148 In pyscf/pyscf.github.io;

· sunqm opened on Dec 4, 2024

Errors when running PCM model

Status: Open.

#138 In pyscf/pyscf.github.io;

· coldflsh opened on Oct 13, 2024

Entry to api doc

Status: Open.

#137 In pyscf/pyscf.github.io;

· jeanwsr opened on Sep 27, 2024

dmrgscf installation instruction

Status: Open.

#134 In pyscf/pyscf.github.io;

· sunqm opened on Aug 12, 2024

API theme

Status: Open.

#120 In pyscf/pyscf.github.io;

· fishjojo opened on Sep 27, 2023

Reporting a vulnerability

Status: Open.

#114 In pyscf/pyscf.github.io;

· argusSecurityBot opened on Jun 10, 2023

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

Status: Open.

#97 In pyscf/pyscf.github.io;

· johTin opened on Jun 23, 2022

BLAS library for AMD CPU

Status: Open.

#80 In pyscf/pyscf.github.io;

· sunqm opened on Jul 8, 2021

Another page in pbc explaining k point post HF methods?

Status: Open.

#53 In pyscf/pyscf.github.io;

· verena-neufeld opened on Apr 3, 2021

integral precision and thresholds

Status: Open.

#49 In pyscf/pyscf.github.io;

· gkc1000 opened on Apr 2, 2021

Authors section in manual

Status: Open.

#36 In pyscf/pyscf.github.io;

· susilehtola opened on Mar 31, 2021

Gallery of examples

Status: Open.

#26 In pyscf/pyscf.github.io;

· gkc1000 opened on Mar 22, 2021