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CC2 calculated S1 and T1 excited energy

Status: Open.

#140 In psi4/psi4numpy;

· andyW296 opened on Dec 6, 2025

Broken example: Fitting Lennard-Jones Parameters from Potential Energy Scan

Status: Open.

#139 In psi4/psi4numpy;

· KonstantinUshenin opened on Jan 29, 2024

ordering of angular moment-indexed basis functions in psi4

Status: Open.

#134 In psi4/psi4numpy;

· linminhtoo opened on Mar 6, 2023

Tutorial 4a_Grids for different molecular symmetries

Status: Open.

#130 In psi4/psi4numpy;

· samusake opened on Oct 13, 2022

reference of code block in psi4numpy/coupled_cluster/RHF/helper_cceom

Status: Open.

#129 In psi4/psi4numpy;

· DavidGoing opened on Sep 29, 2022

Numpy implementation of b3lyp

Status: Open.

#127 In psi4/psi4numpy;

· alexm-gc opened on Aug 31, 2022

Question in code performance

Status: Open.

#124 In psi4/psi4numpy;

· Kee-Wang opened on May 23, 2022

obtaining

Status: Open.

#80 In psi4/psi4numpy;

· loriab opened on Jun 1, 2019

Why no more updates?

Status: Open.

#75 In psi4/psi4numpy;

· rtransformation opened on Apr 1, 2019

spin-orbital MO antisymmetrized integrals ordering

Status: Open.

#64 In psi4/psi4numpy;

· tylertak opened on Aug 17, 2018

SCF Gradients for DF JK types

Status: Open.

#61 In psi4/psi4numpy;

· dgasmith opened on Jun 14, 2018