Search results

Enthalpy of Combustion

Status: Open.

#3304 In psi4/psi4;

· Sulstice opened on Jun 5, 2025

No exception thrown at unconverged geometry opt (geomeTRIC)

optking

Status: Open.

#3290 In psi4/psi4;

· dishu1 opened on May 18, 2025

 ·  

Psi4 1.10

<code>gau2grid</code> stale dependency

Status: Open.

#3287 In psi4/psi4;

· LecrisUT opened on May 6, 2025

Fedora build failure with CMake 4.0

Status: Open.

#3283 In psi4/psi4;

· LecrisUT opened on Apr 30, 2025

SegFault while running fisapt0 with CompositeJK

Status: Open.

#3275 In psi4/psi4;

· camattelaer opened on Mar 11, 2025

Nso of the guess orbitals do not match Nso of the wavefunction.

Status: Open.

#3270 In psi4/psi4;

· griffinwilson2024 opened on Feb 2, 2025

Analytic gradient for UCCSD(T)

Status: Open.

#3269 In psi4/psi4;

· griffinwilson2024 opened on Feb 1, 2025

Gorling-Levy correlation energies

Status: Open.

#3264 In psi4/psi4;

· dkhan42 opened on Jan 18, 2025

Start 3.10 changelog

Status: Open.

#3261 In psi4/psi4;

· loriab opened on Jan 8, 2025

ImportError: libpugixml.so.1: cannot open shared object file: No such file or directory

Status: Open.

#3254 In psi4/psi4;

· sustech-lz opened on Dec 16, 2024

libint2 onebody basis highest am

Status: Open.

#3247 In psi4/psi4;

· susilehtola opened on Nov 14, 2024

How to set dihedral constraints

Status: Open.

#3242 In psi4/psi4;

· ywu opened on Nov 4, 2024